N-[(4R)-4-[7-(4-cyclopropylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]-4-(3,4-dimethoxyphenyl)butyl]-N-methylthiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-(3-oxo-7-piperazin-1-yl-1H-isoindol-2-yl)butyl]-N-methylthiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[3-oxo-7-(4-propan-2-ylpiperazin-1-yl)-1H-isoindol-2-yl]butyl]-N-methylthiophene-2-sulfonamide;methane

C97H134N12O15S6 — CID 161284156

IUPACN-[(4R)-4-[7-(4-cyclopropylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]-4-(3,4-dimethoxyphenyl)butyl]-N-methylthiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-(3-oxo-7-piperazin-1-yl-1H-isoindol-2-yl)butyl]-N-methylthiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[3-oxo-7-(4-propan-2-ylpiperazin-1-yl)-1H-isoindol-2-yl]butyl]-N-methylthiophene-2-sulfonamide;methane
SMILESC.C.C.C.COc1ccc([C@@H](CCCN(C)S(=O)(=O)c2cccs2)N2Cc3c(cccc3N3CCN(C(C)C)CC3)C2=O)cc1OC.COc1ccc([C@@H](CCCN(C)S(=O)(=O)c2cccs2)N2Cc3c(cccc3N3CCN(C4CC4)CC3)C2=O)cc1OC.COc1ccc([C@@H](CCCN(C)S(=O)(=O)c2cccs2)N2Cc3c(cccc3N3CCNCC3)C2=O)cc1OC
InChIInChI=1S/C32H40N4O5S2.C32H42N4O5S2.C29H36N4O5S2.4CH4/c1-33(43(38,39)31-10-6-20-42-31)15-5-9-27(23-11-14-29(40-2)30(21-23)41-3)36-22-26-25(32(36)37)7-4-8-28(26)35-18-16-34(17-19-35)24-12-13-24;1-23(2)34-16-18-35(19-17-34)28-10-6-9-25-26(28)22-36(32(25)37)27(24-13-14-29(40-4)30(21-24)41-5)11-7-15-33(3)43(38,39)31-12-8-20-42-31;1-31(40(35,36)28-10-6-18-39-28)15-5-9-24(21-11-12-26(37-2)27(19-21)38-3)33-20-23-22(29(33)34)7-4-8-25(23)32-16-13-30-14-17-32;;;;/h4,6-8,10-11,14,20-21,24,27H,5,9,12-13,15-19,22H2,1-3H3;6,8-10,12-14,20-21,23,27H,7,11,15-19,22H2,1-5H3;4,6-8,10-12,18-19,24,30H,5,9,13-17,20H2,1-3H3;4*1H4/t2*27-;24-;;;;/m111..../s1
InChIKeyVFMKYORAMFUXMP-IYIZBQMZSA-N
MW1900.61 g/mol
LogP16.46
Rot. Bonds35

About N-[(4R)-4-[7-(4-cyclopropylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]-4-(3,4-dimethoxyphenyl)butyl]-N-methylthiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-(3-oxo-7-piperazin-1-yl-1H-isoindol-2-yl)butyl]-N-methylthiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[3-oxo-7-(4-propan-2-ylpiperazin-1-yl)-1H-isoindol-2-yl]butyl]-N-methylthiophene-2-sulfonamide;methane

N-[(4R)-4-[7-(4-cyclopropylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]-4-(3,4-dimethoxyphenyl)butyl]-N-methylthiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-(3-oxo-7-piperazin-1-yl-1H-isoindol-2-yl)butyl]-N-methylthiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[3-oxo-7-(4-propan-2-ylpiperazin-1-yl)-1H-isoindol-2-yl]butyl]-N-methylthiophene-2-sulfonamide;methane (PubChem CID 161284156) has the molecular formula C97H134N12O15S6 and a molecular weight of 1900.61 g/mol. Its IUPAC name is N-[(4R)-4-[7-(4-cyclopropylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]-4-(3,4-dimethoxyphenyl)butyl]-N-methylthiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-(3-oxo-7-piperazin-1-yl-1H-isoindol-2-yl)butyl]-N-methylthiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[3-oxo-7-(4-propan-2-ylpiperazin-1-yl)-1H-isoindol-2-yl]butyl]-N-methylthiophene-2-sulfonamide;methane.

Molecular Properties

Compound NameN-[(4R)-4-[7-(4-cyclopropylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]-4-(3,4-dimethoxyphenyl)butyl]-N-methylthiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-(3-oxo-7-piperazin-1-yl-1H-isoindol-2-yl)butyl]-N-methylthiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[3-oxo-7-(4-propan-2-ylpiperazin-1-yl)-1H-isoindol-2-yl]butyl]-N-methylthiophene-2-sulfonamide;methane
PubChem CID161284156
Molecular FormulaC97H134N12O15S6
Molecular Weight1900.61 g/mol
Exact Mass1898.84
IUPAC NameN-[(4R)-4-[7-(4-cyclopropylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]-4-(3,4-dimethoxyphenyl)butyl]-N-methylthiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-(3-oxo-7-piperazin-1-yl-1H-isoindol-2-yl)butyl]-N-methylthiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[3-oxo-7-(4-propan-2-ylpiperazin-1-yl)-1H-isoindol-2-yl]butyl]-N-methylthiophene-2-sulfonamide;methane
SMILESC.C.C.C.COc1ccc([C@@H](CCCN(C)S(=O)(=O)c2cccs2)N2Cc3c(cccc3N3CCN(C(C)C)CC3)C2=O)cc1OC.COc1ccc([C@@H](CCCN(C)S(=O)(=O)c2cccs2)N2Cc3c(cccc3N3CCN(C4CC4)CC3)C2=O)cc1OC.COc1ccc([C@@H](CCCN(C)S(=O)(=O)c2cccs2)N2Cc3c(cccc3N3CCNCC3)C2=O)cc1OC
InChIInChI=1S/C32H40N4O5S2.C32H42N4O5S2.C29H36N4O5S2.4CH4/c1-33(43(38,39)31-10-6-20-42-31)15-5-9-27(23-11-14-29(40-2)30(21-23)41-3)36-22-26-25(32(36)37)7-4-8-28(26)35-18-16-34(17-19-35)24-12-13-24;1-23(2)34-16-18-35(19-17-34)28-10-6-9-25-26(28)22-36(32(25)37)27(24-13-14-29(40-4)30(21-24)41-5)11-7-15-33(3)43(38,39)31-12-8-20-42-31;1-31(40(35,36)28-10-6-18-39-28)15-5-9-24(21-11-12-26(37-2)27(19-21)38-3)33-20-23-22(29(33)34)7-4-8-25(23)32-16-13-30-14-17-32;;;;/h4,6-8,10-11,14,20-21,24,27H,5,9,12-13,15-19,22H2,1-3H3;6,8-10,12-14,20-21,23,27H,7,11,15-19,22H2,1-5H3;4,6-8,10-12,18-19,24,30H,5,9,13-17,20H2,1-3H3;4*1H4/t2*27-;24-;;;;/m111..../s1
InChIKeyVFMKYORAMFUXMP-IYIZBQMZSA-N
XLogP16.46
TPSA256.68 Ų
H-Bond Donors1
H-Bond Acceptors24
Rotatable Bonds35
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001900.61
LogP ≤ 516.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1024

Analyze N-[(4R)-4-[7-(4-cyclopropylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]-4-(3,4-dimethoxyphenyl)butyl]-N-methylthiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-(3-oxo-7-piperazin-1-yl-1H-isoindol-2-yl)butyl]-N-methylthiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[3-oxo-7-(4-propan-2-ylpiperazin-1-yl)-1H-isoindol-2-yl]butyl]-N-methylthiophene-2-sulfonamide;methane with MolForge

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Related Compounds

(R)-N-(4-(3,4-dimethoxyphenyl)-4-(4-(4-ethylpiperazin-1-yl)-1-oxoisoindolin-2-yl)butyl)thiophene-2-sulfonamide
CID 25126427
(R)-N-(4-(3,4-dimethoxyphenyl)-4-(4-(4-isopropylpiperazin-1-yl)-1,3-dioxoisoindolin-2-yl)butyl)thiophene-2-sulfonamide
CID 16656749
N-(4-(3,4-dimethoxyphenyl)-4-(1,3-dioxo-4-(4-((R)-1-phenylethyl)piperazin-1-yl)isoindolin-2-yl)butyl)thiophene-2-sulfonamide
CID 23627249
N-((R)-4-(3,4-dimethoxyphenyl)-4-(1,3-dioxo-4-(4-((R)-1-phenylethyl)piperazin-1-yl)isoindolin-2-yl)butyl)thiophene-2-sulfonamide
CID 23627722
(R)-N-(4-(3,4-dimethoxyphenyl)-4-(4-(4-ethylpiperazin-1-yl)-1-oxoisoindolin-2-yl)butyl)-N-methylthiophene-2-sulfonamide
CID 25125075
(R)-N-(4-(3,4-dimethoxyphenyl)-4-(4-(4-isopropylpiperazin-1-yl)-1-oxoisoindolin-2-yl)butyl)thiophene-2-sulfonamide
CID 25125422
(R)-N-(4-(3,4-dimethoxyphenyl)-4-(4-(4-ethylpiperazin-1-yl)-1-oxoisoindolin-2-yl)butyl)thiophene-2-carboxamide
CID 25126424
(R)-N-(4-(4-(4-cyclopropylpiperazin-1-yl)-1-oxoisoindolin-2-yl)-4-(3,4-dimethoxyphenyl)butyl)-N-methylthiophene-2-sulfonamide
CID 25127070
(R)-N-(4-(3,4-dimethoxyphenyl)-4-(4-(4-isopropylpiperazin-1-yl)-1-oxoisoindolin-2-yl)butyl)-N-methylthiophene-2-sulfonamide
CID 25127071
(R)-N-(4-(4-(4-cyclobutylpiperazin-1-yl)-1-oxoisoindolin-2-yl)-4-(3,4-dimethoxyphenyl)butyl)-N-methylthiophene-2-sulfonamide
CID 25127072
(R)-N-(4-(3,4-dimethoxyphenyl)-4-(4-(4-methylpiperazin-1-yl)-1-oxoisoindolin-2-yl)butyl)-N-methylthiophene-2-sulfonamide
CID 25128051
N-(3-(3,4-dimethoxyphenyl)-3-(1,3-dioxo-4-(4-((R)-1-phenylethyl)piperazin-1-yl)isoindolin-2-yl)propyl)thiophene-2-sulfonamide
CID 44596867

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-4-[7-(4-cyclopropylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]-4-(3,4-dimethoxyphenyl)butyl]-N-methylthiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-(3-oxo-7-piperazin-1-yl-1H-isoindol-2-yl)butyl]-N-methylthiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[3-oxo-7-(4-propan-2-ylpiperazin-1-yl)-1H-isoindol-2-yl]butyl]-N-methylthiophene-2-sulfonamide;methane?
The IUPAC name of N-[(4R)-4-[7-(4-cyclopropylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]-4-(3,4-dimethoxyphenyl)butyl]-N-methylthiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-(3-oxo-7-piperazin-1-yl-1H-isoindol-2-yl)butyl]-N-methylthiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[3-oxo-7-(4-propan-2-ylpiperazin-1-yl)-1H-isoindol-2-yl]butyl]-N-methylthiophene-2-sulfonamide;methane (CID 161284156) is N-[(4R)-4-[7-(4-cyclopropylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]-4-(3,4-dimethoxyphenyl)butyl]-N-methylthiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-(3-oxo-7-piperazin-1-yl-1H-isoindol-2-yl)butyl]-N-methylthiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[3-oxo-7-(4-propan-2-ylpiperazin-1-yl)-1H-isoindol-2-yl]butyl]-N-methylthiophene-2-sulfonamide;methane.
What is the SMILES notation for N-[(4R)-4-[7-(4-cyclopropylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]-4-(3,4-dimethoxyphenyl)butyl]-N-methylthiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-(3-oxo-7-piperazin-1-yl-1H-isoindol-2-yl)butyl]-N-methylthiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[3-oxo-7-(4-propan-2-ylpiperazin-1-yl)-1H-isoindol-2-yl]butyl]-N-methylthiophene-2-sulfonamide;methane?
The canonical SMILES for N-[(4R)-4-[7-(4-cyclopropylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]-4-(3,4-dimethoxyphenyl)butyl]-N-methylthiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-(3-oxo-7-piperazin-1-yl-1H-isoindol-2-yl)butyl]-N-methylthiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[3-oxo-7-(4-propan-2-ylpiperazin-1-yl)-1H-isoindol-2-yl]butyl]-N-methylthiophene-2-sulfonamide;methane is C.C.C.C.COc1ccc([C@@H](CCCN(C)S(=O)(=O)c2cccs2)N2Cc3c(cccc3N3CCN(C(C)C)CC3)C2=O)cc1OC.COc1ccc([C@@H](CCCN(C)S(=O)(=O)c2cccs2)N2Cc3c(cccc3N3CCN(C4CC4)CC3)C2=O)cc1OC.COc1ccc([C@@H](CCCN(C)S(=O)(=O)c2cccs2)N2Cc3c(cccc3N3CCNCC3)C2=O)cc1OC.
What is the InChIKey of N-[(4R)-4-[7-(4-cyclopropylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]-4-(3,4-dimethoxyphenyl)butyl]-N-methylthiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-(3-oxo-7-piperazin-1-yl-1H-isoindol-2-yl)butyl]-N-methylthiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[3-oxo-7-(4-propan-2-ylpiperazin-1-yl)-1H-isoindol-2-yl]butyl]-N-methylthiophene-2-sulfonamide;methane?
The InChIKey is VFMKYORAMFUXMP-IYIZBQMZSA-N. The full InChI is InChI=1S/C32H40N4O5S2.C32H42N4O5S2.C29H36N4O5S2.4CH4/c1-33(43(38,39)31-10-6-20-42-31)15-5-9-27(23-11-14-29(40-2)30(21-23)41-3)36-22-26-25(32(36)37)7-4-8-28(26)35-18-16-34(17-19-35)24-12-13-24;1-23(2)34-16-18-35(19-17-34)28-10-6-9-25-26(28)22-36(32(25)37)27(24-13-14-29(40-4)30(21-24)41-5)11-7-15-33(3)43(38,39)31-12-8-20-42-31;1-31(40(35,36)28-10-6-18-39-28)15-5-9-24(21-11-12-26(37-2)27(19-21)38-3)33-20-23-22(29(33)34)7-4-8-25(23)32-16-13-30-14-17-32;;;;/h4,6-8,10-11,14,20-21,24,27H,5,9,12-13,15-19,22H2,1-3H3;6,8-10,12-14,20-21,23,27H,7,11,15-19,22H2,1-5H3;4,6-8,10-12,18-19,24,30H,5,9,13-17,20H2,1-3H3;4*1H4/t2*27-;24-;;;;/m111..../s1.
What are the key properties of N-[(4R)-4-[7-(4-cyclopropylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]-4-(3,4-dimethoxyphenyl)butyl]-N-methylthiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-(3-oxo-7-piperazin-1-yl-1H-isoindol-2-yl)butyl]-N-methylthiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[3-oxo-7-(4-propan-2-ylpiperazin-1-yl)-1H-isoindol-2-yl]butyl]-N-methylthiophene-2-sulfonamide;methane?
N-[(4R)-4-[7-(4-cyclopropylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]-4-(3,4-dimethoxyphenyl)butyl]-N-methylthiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-(3-oxo-7-piperazin-1-yl-1H-isoindol-2-yl)butyl]-N-methylthiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[3-oxo-7-(4-propan-2-ylpiperazin-1-yl)-1H-isoindol-2-yl]butyl]-N-methylthiophene-2-sulfonamide;methane has a molecular weight of 1900.61 g/mol, XLogP of 16.46, 35 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-4-[7-(4-cyclopropylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]-4-(3,4-dimethoxyphenyl)butyl]-N-methylthiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-(3-oxo-7-piperazin-1-yl-1H-isoindol-2-yl)butyl]-N-methylthiophene-2-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[3-oxo-7-(4-propan-2-ylpiperazin-1-yl)-1H-isoindol-2-yl]butyl]-N-methylthiophene-2-sulfonamide;methane is sourced from PubChem (CID 161284156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).