2-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]sulfonyl-[(4-methoxyphenyl)methyl]amino]-N-phenylacetamide

C29H35N3O6S2 — CID 3202163

IUPAC2-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]sulfonyl-[(4-methoxyphenyl)methyl]amino]-N-phenylacetamide
SMILESCOc1ccc(CN(CC(=O)Nc2ccccc2)S(=O)(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)cc1
InChIInChI=1S/C29H35N3O6S2/c1-31(25-11-7-4-8-12-25)39(34,35)27-17-19-28(20-18-27)40(36,37)32(21-23-13-15-26(38-2)16-14-23)22-29(33)30-24-9-5-3-6-10-24/h3,5-6,9-10,13-20,25H,4,7-8,11-12,21-22H2,1-2H3,(H,30,33)
InChIKeyPJLCMPFSECYDJW-UHFFFAOYSA-N
MW585.75 g/mol
LogP4.48
Rot. Bonds11

About 2-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]sulfonyl-[(4-methoxyphenyl)methyl]amino]-N-phenylacetamide

2-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]sulfonyl-[(4-methoxyphenyl)methyl]amino]-N-phenylacetamide (PubChem CID 3202163) has the molecular formula C29H35N3O6S2 and a molecular weight of 585.75 g/mol. Its IUPAC name is 2-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]sulfonyl-[(4-methoxyphenyl)methyl]amino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]sulfonyl-[(4-methoxyphenyl)methyl]amino]-N-phenylacetamide
PubChem CID3202163
Molecular FormulaC29H35N3O6S2
Molecular Weight585.75 g/mol
Exact Mass585.20
IUPAC Name2-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]sulfonyl-[(4-methoxyphenyl)methyl]amino]-N-phenylacetamide
SMILESCOc1ccc(CN(CC(=O)Nc2ccccc2)S(=O)(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)cc1
InChIInChI=1S/C29H35N3O6S2/c1-31(25-11-7-4-8-12-25)39(34,35)27-17-19-28(20-18-27)40(36,37)32(21-23-13-15-26(38-2)16-14-23)22-29(33)30-24-9-5-3-6-10-24/h3,5-6,9-10,13-20,25H,4,7-8,11-12,21-22H2,1-2H3,(H,30,33)
InChIKeyPJLCMPFSECYDJW-UHFFFAOYSA-N
XLogP4.48
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500585.75
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-methoxyphenyl)methyl-[4-[[(1S,2R)-2-methylcyclohexyl]sulfamoyl]phenyl]sulfonylamino]-N-phenylacetamide
CID 98104564
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126086784
2-[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 126012291
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-[cyclohexyl(methyl)amino]acetamide
CID 55409399
2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]-N-phenylacetamide
CID 42111350
2-[[4-(cyclohexylsulfamoyl)phenyl]sulfonyl-[(4-fluorophenyl)methyl]amino]-N-phenylacetamide
CID 3202155
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(4-methoxyphenyl)acetamide
CID 3474931
2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-(3-methoxyphenyl)acetamide
CID 126011407
N-[4-[[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]acetamide
CID 141361158
N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]acetamide
CID 42111351
2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetic acid
CID 718840
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-phenylacetamide
CID 23913704

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]sulfonyl-[(4-methoxyphenyl)methyl]amino]-N-phenylacetamide?
The IUPAC name of 2-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]sulfonyl-[(4-methoxyphenyl)methyl]amino]-N-phenylacetamide (CID 3202163) is 2-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]sulfonyl-[(4-methoxyphenyl)methyl]amino]-N-phenylacetamide.
What is the SMILES notation for 2-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]sulfonyl-[(4-methoxyphenyl)methyl]amino]-N-phenylacetamide?
The canonical SMILES for 2-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]sulfonyl-[(4-methoxyphenyl)methyl]amino]-N-phenylacetamide is COc1ccc(CN(CC(=O)Nc2ccccc2)S(=O)(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)cc1.
What is the InChIKey of 2-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]sulfonyl-[(4-methoxyphenyl)methyl]amino]-N-phenylacetamide?
The InChIKey is PJLCMPFSECYDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O6S2/c1-31(25-11-7-4-8-12-25)39(34,35)27-17-19-28(20-18-27)40(36,37)32(21-23-13-15-26(38-2)16-14-23)22-29(33)30-24-9-5-3-6-10-24/h3,5-6,9-10,13-20,25H,4,7-8,11-12,21-22H2,1-2H3,(H,30,33).
What are the key properties of 2-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]sulfonyl-[(4-methoxyphenyl)methyl]amino]-N-phenylacetamide?
2-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]sulfonyl-[(4-methoxyphenyl)methyl]amino]-N-phenylacetamide has a molecular weight of 585.75 g/mol, XLogP of 4.48, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]sulfonyl-[(4-methoxyphenyl)methyl]amino]-N-phenylacetamide is sourced from PubChem (CID 3202163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).