1-[3-[1,3-bis[2,6-di(propan-2-yl)phenyl]-1,3,2-diazaphospholidin-2-yl]propyl]-3-phenylthiourea;1-[2-[[1,3-bis(4-methylphenyl)-1,3,2-diazaphospholidin-2-yl]-methylamino]ethyl]-3-phenylthiourea;N-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-methylamino]ethyl]-4-methylbenzenesulfonamide;1-[(2R)-3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-2-methylpropyl]-3-phenylthiourea;7-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-1-phenylheptane-2-thione

C138H172N19O2P5S5 — CID 162183726

IUPAC1-[3-[1,3-bis[2,6-di(propan-2-yl)phenyl]-1,3,2-diazaphospholidin-2-yl]propyl]-3-phenylthiourea;1-[2-[[1,3-bis(4-methylphenyl)-1,3,2-diazaphospholidin-2-yl]-methylamino]ethyl]-3-phenylthiourea;N-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-methylamino]ethyl]-4-methylbenzenesulfonamide;1-[(2R)-3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-2-methylpropyl]-3-phenylthiourea;7-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-1-phenylheptane-2-thione
SMILESCC(C)c1cccc(C(C)C)c1N1CCN(c2c(C(C)C)cccc2C(C)C)P1CCCNC(=S)Nc1ccccc1.C[C@H](CNC(=S)Nc1ccccc1)CP1N(c2ccccc2)CCN1c1ccccc1.Cc1ccc(N2CCN(c3ccc(C)cc3)P2N(C)CCNC(=S)Nc2ccccc2)cc1.Cc1ccc(S(=O)(=O)NCCN(C)P2N(c3ccccc3)CCN2c2ccccc2)cc1.S=C(CCCCCP1N(c2ccccc2)CCN1c1ccccc1)Cc1ccccc1
InChIInChI=1S/C36H51N4PS.C27H31N2PS.C26H32N5PS.C25H29N4PS.C24H29N4O2PS/c1-25(2)30-17-12-18-31(26(3)4)34(30)39-22-23-40(35-32(27(5)6)19-13-20-33(35)28(7)8)41(39)24-14-21-37-36(42)38-29-15-10-9-11-16-29;31-27(23-24-13-5-1-6-14-24)19-11-4-12-22-30-28(25-15-7-2-8-16-25)20-21-29(30)26-17-9-3-10-18-26;1-21-9-13-24(14-10-21)30-19-20-31(25-15-11-22(2)12-16-25)32(30)29(3)18-17-27-26(33)28-23-7-5-4-6-8-23;1-21(19-26-25(31)27-22-11-5-2-6-12-22)20-30-28(23-13-7-3-8-14-23)17-18-29(30)24-15-9-4-10-16-24;1-21-13-15-24(16-14-21)32(29,30)25-17-18-26(2)31-27(22-9-5-3-6-10-22)19-20-28(31)23-11-7-4-8-12-23/h9-13,15-20,25-28H,14,21-24H2,1-8H3,(H2,37,38,42);1-3,5-10,13-18H,4,11-12,19-23H2;4-16H,17-20H2,1-3H3,(H2,27,28,33);2-16,21H,17-20H2,1H3,(H2,26,27,31);3-16,25H,17-20H2,1-2H3/t;;;21-;/m...1./s1
InChIKeyZPJPXCIIYXJDMT-RLCCFHOBSA-N
MW2444.23 g/mol
LogP33.88
Rot. Bonds43

About 1-[3-[1,3-bis[2,6-di(propan-2-yl)phenyl]-1,3,2-diazaphospholidin-2-yl]propyl]-3-phenylthiourea;1-[2-[[1,3-bis(4-methylphenyl)-1,3,2-diazaphospholidin-2-yl]-methylamino]ethyl]-3-phenylthiourea;N-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-methylamino]ethyl]-4-methylbenzenesulfonamide;1-[(2R)-3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-2-methylpropyl]-3-phenylthiourea;7-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-1-phenylheptane-2-thione

1-[3-[1,3-bis[2,6-di(propan-2-yl)phenyl]-1,3,2-diazaphospholidin-2-yl]propyl]-3-phenylthiourea;1-[2-[[1,3-bis(4-methylphenyl)-1,3,2-diazaphospholidin-2-yl]-methylamino]ethyl]-3-phenylthiourea;N-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-methylamino]ethyl]-4-methylbenzenesulfonamide;1-[(2R)-3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-2-methylpropyl]-3-phenylthiourea;7-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-1-phenylheptane-2-thione (PubChem CID 162183726) has the molecular formula C138H172N19O2P5S5 and a molecular weight of 2444.23 g/mol. Its IUPAC name is 1-[3-[1,3-bis[2,6-di(propan-2-yl)phenyl]-1,3,2-diazaphospholidin-2-yl]propyl]-3-phenylthiourea;1-[2-[[1,3-bis(4-methylphenyl)-1,3,2-diazaphospholidin-2-yl]-methylamino]ethyl]-3-phenylthiourea;N-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-methylamino]ethyl]-4-methylbenzenesulfonamide;1-[(2R)-3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-2-methylpropyl]-3-phenylthiourea;7-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-1-phenylheptane-2-thione.

Molecular Properties

Compound Name1-[3-[1,3-bis[2,6-di(propan-2-yl)phenyl]-1,3,2-diazaphospholidin-2-yl]propyl]-3-phenylthiourea;1-[2-[[1,3-bis(4-methylphenyl)-1,3,2-diazaphospholidin-2-yl]-methylamino]ethyl]-3-phenylthiourea;N-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-methylamino]ethyl]-4-methylbenzenesulfonamide;1-[(2R)-3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-2-methylpropyl]-3-phenylthiourea;7-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-1-phenylheptane-2-thione
PubChem CID162183726
Molecular FormulaC138H172N19O2P5S5
Molecular Weight2444.23 g/mol
Exact Mass2442.12
IUPAC Name1-[3-[1,3-bis[2,6-di(propan-2-yl)phenyl]-1,3,2-diazaphospholidin-2-yl]propyl]-3-phenylthiourea;1-[2-[[1,3-bis(4-methylphenyl)-1,3,2-diazaphospholidin-2-yl]-methylamino]ethyl]-3-phenylthiourea;N-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-methylamino]ethyl]-4-methylbenzenesulfonamide;1-[(2R)-3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-2-methylpropyl]-3-phenylthiourea;7-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-1-phenylheptane-2-thione
SMILESCC(C)c1cccc(C(C)C)c1N1CCN(c2c(C(C)C)cccc2C(C)C)P1CCCNC(=S)Nc1ccccc1.C[C@H](CNC(=S)Nc1ccccc1)CP1N(c2ccccc2)CCN1c1ccccc1.Cc1ccc(N2CCN(c3ccc(C)cc3)P2N(C)CCNC(=S)Nc2ccccc2)cc1.Cc1ccc(S(=O)(=O)NCCN(C)P2N(c3ccccc3)CCN2c2ccccc2)cc1.S=C(CCCCCP1N(c2ccccc2)CCN1c1ccccc1)Cc1ccccc1
InChIInChI=1S/C36H51N4PS.C27H31N2PS.C26H32N5PS.C25H29N4PS.C24H29N4O2PS/c1-25(2)30-17-12-18-31(26(3)4)34(30)39-22-23-40(35-32(27(5)6)19-13-20-33(35)28(7)8)41(39)24-14-21-37-36(42)38-29-15-10-9-11-16-29;31-27(23-24-13-5-1-6-14-24)19-11-4-12-22-30-28(25-15-7-2-8-16-25)20-21-29(30)26-17-9-3-10-18-26;1-21-9-13-24(14-10-21)30-19-20-31(25-15-11-22(2)12-16-25)32(30)29(3)18-17-27-26(33)28-23-7-5-4-6-8-23;1-21(19-26-25(31)27-22-11-5-2-6-12-22)20-30-28(23-13-7-3-8-14-23)17-18-29(30)24-15-9-4-10-16-24;1-21-13-15-24(16-14-21)32(29,30)25-17-18-26(2)31-27(22-9-5-3-6-10-22)19-20-28(31)23-11-7-4-8-12-23/h9-13,15-20,25-28H,14,21-24H2,1-8H3,(H2,37,38,42);1-3,5-10,13-18H,4,11-12,19-23H2;4-16H,17-20H2,1-3H3,(H2,27,28,33);2-16,21H,17-20H2,1H3,(H2,26,27,31);3-16,25H,17-20H2,1-2H3/t;;;21-;/m...1./s1
InChIKeyZPJPXCIIYXJDMT-RLCCFHOBSA-N
XLogP33.88
TPSA157.23 Ų
H-Bond Donors7
H-Bond Acceptors18
Rotatable Bonds43
Heavy Atoms169
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002444.23
LogP ≤ 533.88
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-[3-[1,3-bis[2,6-di(propan-2-yl)phenyl]-1,3,2-diazaphospholidin-2-yl]propyl]-3-phenylthiourea;1-[2-[[1,3-bis(4-methylphenyl)-1,3,2-diazaphospholidin-2-yl]-methylamino]ethyl]-3-phenylthiourea;N-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-methylamino]ethyl]-4-methylbenzenesulfonamide;1-[(2R)-3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-2-methylpropyl]-3-phenylthiourea;7-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-1-phenylheptane-2-thione with MolForge

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Related Compounds

1-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]-3-(4-methylphenyl)thiourea
CID 134471129
1-[(2R)-3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-2-methylpropyl]-3-phenylthiourea
CID 134471130
1-[(2R)-2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)amino]propyl]-3-phenylthiourea
CID 134475085
1-benzyl-3-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]thiourea;N-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]benzamide;1-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]-3-(4-methylphenyl)thiourea;1-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]thiourea;1-[3-[1-(4-methoxyphenyl)-3-(4-methylphenyl)-1,3,2-diazaphospholidin-2-yl]propyl]-3-phenylthiourea
CID 158864942
1-[4-[2-[(4-methylphenyl)sulfonylamino]ethyl]phenyl]sulfonyl-3-phenylthiourea
CID 118713281
N-[2-[benzyl-[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl]-4-methylbenzenesulfonamide;hydrochloride
CID 71677105
4-methyl-N-[[4-(2-phenylethylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 5191397
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-N-propan-2-ylacetamide
CID 113052047
N-(4-anilinophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 46554404
(3S)-1-benzyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-3-carboxamide
CID 94665231
1-[2-(N-ethyl-4-methylanilino)ethyl]-3-[3-[methyl(methylsulfonyl)amino]phenyl]thiourea
CID 100753326
1-benzyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pyrrolidine-2-carboxamide
CID 60579538

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1,3-bis[2,6-di(propan-2-yl)phenyl]-1,3,2-diazaphospholidin-2-yl]propyl]-3-phenylthiourea;1-[2-[[1,3-bis(4-methylphenyl)-1,3,2-diazaphospholidin-2-yl]-methylamino]ethyl]-3-phenylthiourea;N-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-methylamino]ethyl]-4-methylbenzenesulfonamide;1-[(2R)-3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-2-methylpropyl]-3-phenylthiourea;7-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-1-phenylheptane-2-thione?
The IUPAC name of 1-[3-[1,3-bis[2,6-di(propan-2-yl)phenyl]-1,3,2-diazaphospholidin-2-yl]propyl]-3-phenylthiourea;1-[2-[[1,3-bis(4-methylphenyl)-1,3,2-diazaphospholidin-2-yl]-methylamino]ethyl]-3-phenylthiourea;N-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-methylamino]ethyl]-4-methylbenzenesulfonamide;1-[(2R)-3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-2-methylpropyl]-3-phenylthiourea;7-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-1-phenylheptane-2-thione (CID 162183726) is 1-[3-[1,3-bis[2,6-di(propan-2-yl)phenyl]-1,3,2-diazaphospholidin-2-yl]propyl]-3-phenylthiourea;1-[2-[[1,3-bis(4-methylphenyl)-1,3,2-diazaphospholidin-2-yl]-methylamino]ethyl]-3-phenylthiourea;N-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-methylamino]ethyl]-4-methylbenzenesulfonamide;1-[(2R)-3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-2-methylpropyl]-3-phenylthiourea;7-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-1-phenylheptane-2-thione.
What is the SMILES notation for 1-[3-[1,3-bis[2,6-di(propan-2-yl)phenyl]-1,3,2-diazaphospholidin-2-yl]propyl]-3-phenylthiourea;1-[2-[[1,3-bis(4-methylphenyl)-1,3,2-diazaphospholidin-2-yl]-methylamino]ethyl]-3-phenylthiourea;N-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-methylamino]ethyl]-4-methylbenzenesulfonamide;1-[(2R)-3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-2-methylpropyl]-3-phenylthiourea;7-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-1-phenylheptane-2-thione?
The canonical SMILES for 1-[3-[1,3-bis[2,6-di(propan-2-yl)phenyl]-1,3,2-diazaphospholidin-2-yl]propyl]-3-phenylthiourea;1-[2-[[1,3-bis(4-methylphenyl)-1,3,2-diazaphospholidin-2-yl]-methylamino]ethyl]-3-phenylthiourea;N-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-methylamino]ethyl]-4-methylbenzenesulfonamide;1-[(2R)-3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-2-methylpropyl]-3-phenylthiourea;7-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-1-phenylheptane-2-thione is CC(C)c1cccc(C(C)C)c1N1CCN(c2c(C(C)C)cccc2C(C)C)P1CCCNC(=S)Nc1ccccc1.C[C@H](CNC(=S)Nc1ccccc1)CP1N(c2ccccc2)CCN1c1ccccc1.Cc1ccc(N2CCN(c3ccc(C)cc3)P2N(C)CCNC(=S)Nc2ccccc2)cc1.Cc1ccc(S(=O)(=O)NCCN(C)P2N(c3ccccc3)CCN2c2ccccc2)cc1.S=C(CCCCCP1N(c2ccccc2)CCN1c1ccccc1)Cc1ccccc1.
What is the InChIKey of 1-[3-[1,3-bis[2,6-di(propan-2-yl)phenyl]-1,3,2-diazaphospholidin-2-yl]propyl]-3-phenylthiourea;1-[2-[[1,3-bis(4-methylphenyl)-1,3,2-diazaphospholidin-2-yl]-methylamino]ethyl]-3-phenylthiourea;N-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-methylamino]ethyl]-4-methylbenzenesulfonamide;1-[(2R)-3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-2-methylpropyl]-3-phenylthiourea;7-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-1-phenylheptane-2-thione?
The InChIKey is ZPJPXCIIYXJDMT-RLCCFHOBSA-N. The full InChI is InChI=1S/C36H51N4PS.C27H31N2PS.C26H32N5PS.C25H29N4PS.C24H29N4O2PS/c1-25(2)30-17-12-18-31(26(3)4)34(30)39-22-23-40(35-32(27(5)6)19-13-20-33(35)28(7)8)41(39)24-14-21-37-36(42)38-29-15-10-9-11-16-29;31-27(23-24-13-5-1-6-14-24)19-11-4-12-22-30-28(25-15-7-2-8-16-25)20-21-29(30)26-17-9-3-10-18-26;1-21-9-13-24(14-10-21)30-19-20-31(25-15-11-22(2)12-16-25)32(30)29(3)18-17-27-26(33)28-23-7-5-4-6-8-23;1-21(19-26-25(31)27-22-11-5-2-6-12-22)20-30-28(23-13-7-3-8-14-23)17-18-29(30)24-15-9-4-10-16-24;1-21-13-15-24(16-14-21)32(29,30)25-17-18-26(2)31-27(22-9-5-3-6-10-22)19-20-28(31)23-11-7-4-8-12-23/h9-13,15-20,25-28H,14,21-24H2,1-8H3,(H2,37,38,42);1-3,5-10,13-18H,4,11-12,19-23H2;4-16H,17-20H2,1-3H3,(H2,27,28,33);2-16,21H,17-20H2,1H3,(H2,26,27,31);3-16,25H,17-20H2,1-2H3/t;;;21-;/m...1./s1.
What are the key properties of 1-[3-[1,3-bis[2,6-di(propan-2-yl)phenyl]-1,3,2-diazaphospholidin-2-yl]propyl]-3-phenylthiourea;1-[2-[[1,3-bis(4-methylphenyl)-1,3,2-diazaphospholidin-2-yl]-methylamino]ethyl]-3-phenylthiourea;N-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-methylamino]ethyl]-4-methylbenzenesulfonamide;1-[(2R)-3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-2-methylpropyl]-3-phenylthiourea;7-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-1-phenylheptane-2-thione?
1-[3-[1,3-bis[2,6-di(propan-2-yl)phenyl]-1,3,2-diazaphospholidin-2-yl]propyl]-3-phenylthiourea;1-[2-[[1,3-bis(4-methylphenyl)-1,3,2-diazaphospholidin-2-yl]-methylamino]ethyl]-3-phenylthiourea;N-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-methylamino]ethyl]-4-methylbenzenesulfonamide;1-[(2R)-3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-2-methylpropyl]-3-phenylthiourea;7-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-1-phenylheptane-2-thione has a molecular weight of 2444.23 g/mol, XLogP of 33.88, 43 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1,3-bis[2,6-di(propan-2-yl)phenyl]-1,3,2-diazaphospholidin-2-yl]propyl]-3-phenylthiourea;1-[2-[[1,3-bis(4-methylphenyl)-1,3,2-diazaphospholidin-2-yl]-methylamino]ethyl]-3-phenylthiourea;N-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-methylamino]ethyl]-4-methylbenzenesulfonamide;1-[(2R)-3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-2-methylpropyl]-3-phenylthiourea;7-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-1-phenylheptane-2-thione is sourced from PubChem (CID 162183726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).