[(4S,5R)-4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-fluoro-5-morpholin-4-ylsulfonylphenyl)imidazolidin-2-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone;hydrochloride

C35H43Cl3FN5O7S2 — CID 69468373

IUPAC[(4S,5R)-4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-fluoro-5-morpholin-4-ylsulfonylphenyl)imidazolidin-2-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone;hydrochloride
SMILESCCOc1cc(F)c(S(=O)(=O)N2CCOCC2)cc1C1(C(=O)N2CCN(CCS(C)(=O)=O)CC2)N[C@H](c2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2)N1.Cl
InChIInChI=1S/C35H42Cl2FN5O7S2.ClH/c1-3-50-30-23-29(38)31(52(47,48)43-16-19-49-20-17-43)22-28(30)35(34(44)42-14-12-41(13-15-42)18-21-51(2,45)46)39-32(24-4-8-26(36)9-5-24)33(40-35)25-6-10-27(37)11-7-25;/h4-11,22-23,32-33,39-40H,3,12-21H2,1-2H3;1H/t32-,33+,35?;
InChIKeyMDAUEQDUGZMOPX-VMUYEMESSA-N
MW835.25 g/mol
LogP3.99
Rot. Bonds11

About [(4S,5R)-4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-fluoro-5-morpholin-4-ylsulfonylphenyl)imidazolidin-2-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone;hydrochloride

[(4S,5R)-4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-fluoro-5-morpholin-4-ylsulfonylphenyl)imidazolidin-2-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 69468373) has the molecular formula C35H43Cl3FN5O7S2 and a molecular weight of 835.25 g/mol. Its IUPAC name is [(4S,5R)-4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-fluoro-5-morpholin-4-ylsulfonylphenyl)imidazolidin-2-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[(4S,5R)-4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-fluoro-5-morpholin-4-ylsulfonylphenyl)imidazolidin-2-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone;hydrochloride
PubChem CID69468373
Molecular FormulaC35H43Cl3FN5O7S2
Molecular Weight835.25 g/mol
Exact Mass833.17
IUPAC Name[(4S,5R)-4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-fluoro-5-morpholin-4-ylsulfonylphenyl)imidazolidin-2-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone;hydrochloride
SMILESCCOc1cc(F)c(S(=O)(=O)N2CCOCC2)cc1C1(C(=O)N2CCN(CCS(C)(=O)=O)CC2)N[C@H](c2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2)N1.Cl
InChIInChI=1S/C35H42Cl2FN5O7S2.ClH/c1-3-50-30-23-29(38)31(52(47,48)43-16-19-49-20-17-43)22-28(30)35(34(44)42-14-12-41(13-15-42)18-21-51(2,45)46)39-32(24-4-8-26(36)9-5-24)33(40-35)25-6-10-27(37)11-7-25;/h4-11,22-23,32-33,39-40H,3,12-21H2,1-2H3;1H/t32-,33+,35?;
InChIKeyMDAUEQDUGZMOPX-VMUYEMESSA-N
XLogP3.99
TPSA137.59 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms53
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500835.25
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze [(4S,5R)-4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-fluoro-5-morpholin-4-ylsulfonylphenyl)imidazolidin-2-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone;hydrochloride with MolForge

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Related Compounds

[(4R,5S)-2-(4-chloro-2-ethoxy-5-pyrrolidin-1-ylsulfonylphenyl)-4,5-bis(4-chlorophenyl)imidazolidin-2-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone;hydrochloride
CID 69466831
[(4S,5R)-4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]imidazolidin-2-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 87845971
[(4S,5R)-4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-methoxy-5-piperidin-1-ylsulfonylphenyl)imidazolidin-2-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone
CID 69467254
2-[2-[4-[(4S,5R)-4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)imidazolidine-2-carbonyl]piperazin-1-yl]morpholin-4-yl]acetaldehyde
CID 87845997
[4-[4,5-bis(4-chlorophenyl)-2-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)imidazolidine-2-carbonyl]piperazin-1-yl]-cyclopropylmethanone
CID 69465259
[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)imidazolidin-2-yl]-[4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-1-yl]methanone
CID 87843281
2-[4-[(4S,5R)-2-[5-(tert-butylsulfamoyl)-2-ethoxy-4-methylphenyl]-4,5-bis(4-chlorophenyl)imidazolidine-2-carbonyl]piperazin-1-yl]-N-(2-methoxypropyl)acetamide
CID 69468497
4-[2-[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]imidazolidin-2-yl]sulfonylethyl]morpholine;hydrochloride
CID 87887251
[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]imidazolidin-2-yl]-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 87887389
[4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-methoxyphenyl)imidazolidin-2-yl]-piperazin-1-ylmethanone
CID 66978990
2-[4-[(4S,5R)-4,5-bis(4-chlorophenyl)-2-[2-ethoxy-5-[methoxy(methyl)sulfamoyl]-4-methylphenyl]imidazolidine-2-carbonyl]piperazin-1-yl]-N,N-bis(2-methoxyethyl)acetamide
CID 87845338
2-[4-[(4S,5R)-4,5-bis(4-chlorophenyl)-2-[2-ethoxy-5-[methoxy(methyl)sulfamoyl]phenyl]imidazolidine-2-carbonyl]piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 87845072

Frequently Asked Questions

What is the IUPAC name of [(4S,5R)-4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-fluoro-5-morpholin-4-ylsulfonylphenyl)imidazolidin-2-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of [(4S,5R)-4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-fluoro-5-morpholin-4-ylsulfonylphenyl)imidazolidin-2-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone;hydrochloride (CID 69468373) is [(4S,5R)-4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-fluoro-5-morpholin-4-ylsulfonylphenyl)imidazolidin-2-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [(4S,5R)-4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-fluoro-5-morpholin-4-ylsulfonylphenyl)imidazolidin-2-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for [(4S,5R)-4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-fluoro-5-morpholin-4-ylsulfonylphenyl)imidazolidin-2-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone;hydrochloride is CCOc1cc(F)c(S(=O)(=O)N2CCOCC2)cc1C1(C(=O)N2CCN(CCS(C)(=O)=O)CC2)N[C@H](c2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2)N1.Cl.
What is the InChIKey of [(4S,5R)-4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-fluoro-5-morpholin-4-ylsulfonylphenyl)imidazolidin-2-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone;hydrochloride?
The InChIKey is MDAUEQDUGZMOPX-VMUYEMESSA-N. The full InChI is InChI=1S/C35H42Cl2FN5O7S2.ClH/c1-3-50-30-23-29(38)31(52(47,48)43-16-19-49-20-17-43)22-28(30)35(34(44)42-14-12-41(13-15-42)18-21-51(2,45)46)39-32(24-4-8-26(36)9-5-24)33(40-35)25-6-10-27(37)11-7-25;/h4-11,22-23,32-33,39-40H,3,12-21H2,1-2H3;1H/t32-,33+,35?;.
What are the key properties of [(4S,5R)-4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-fluoro-5-morpholin-4-ylsulfonylphenyl)imidazolidin-2-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone;hydrochloride?
[(4S,5R)-4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-fluoro-5-morpholin-4-ylsulfonylphenyl)imidazolidin-2-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone;hydrochloride has a molecular weight of 835.25 g/mol, XLogP of 3.99, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5R)-4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-fluoro-5-morpholin-4-ylsulfonylphenyl)imidazolidin-2-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 69468373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).