4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[2-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide

C25H33N3O4S — CID 20968693

IUPAC4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[2-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC2CCC(C(=O)NCCc3cccc(C)c3)CC2)cc1
InChIInChI=1S/C25H33N3O4S/c1-18-4-3-5-20(16-18)14-15-26-25(30)22-8-6-21(7-9-22)17-27-33(31,32)24-12-10-23(11-13-24)28-19(2)29/h3-5,10-13,16,21-22,27H,6-9,14-15,17H2,1-2H3,(H,26,30)(H,28,29)
InChIKeyQSWNWCQQTLKQSQ-UHFFFAOYSA-N
MW471.62 g/mol
LogP3.40
Rot. Bonds9

About 4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[2-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide

4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[2-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide (PubChem CID 20968693) has the molecular formula C25H33N3O4S and a molecular weight of 471.62 g/mol. Its IUPAC name is 4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[2-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[2-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide
PubChem CID20968693
Molecular FormulaC25H33N3O4S
Molecular Weight471.62 g/mol
Exact Mass471.22
IUPAC Name4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[2-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC2CCC(C(=O)NCCc3cccc(C)c3)CC2)cc1
InChIInChI=1S/C25H33N3O4S/c1-18-4-3-5-20(16-18)14-15-26-25(30)22-8-6-21(7-9-22)17-27-33(31,32)24-12-10-23(11-13-24)28-19(2)29/h3-5,10-13,16,21-22,27H,6-9,14-15,17H2,1-2H3,(H,26,30)(H,28,29)
InChIKeyQSWNWCQQTLKQSQ-UHFFFAOYSA-N
XLogP3.40
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.62
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[2-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 55062327
N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]cyclohexanecarboxamide
CID 108571113
N-[(4-methylphenyl)methyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
CID 4156842
4-[[(4-methylphenyl)sulfonylamino]methyl]-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide
CID 5323340
4-N-(3-methylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148972
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[[(2,4,6-trimethylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
CID 20970523
4-N-[(3-methylphenyl)methyl]-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148068
N-[4-(cyclopropylmethylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 119287751
N-[4-[(3-hydroxycyclopentyl)methylsulfamoyl]phenyl]acetamide
CID 103270149
N-[4-[[4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]cyclohexyl]methylsulfamoyl]phenyl]acetamide
CID 92506331
4-[2-(4-acetamidophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673195
4-(benzenesulfonamidomethyl)-N-(4-chlorophenyl)cyclohexane-1-carboxamide
CID 11327244

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[2-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[2-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide (CID 20968693) is 4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[2-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[2-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[2-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide is CC(=O)Nc1ccc(S(=O)(=O)NCC2CCC(C(=O)NCCc3cccc(C)c3)CC2)cc1.
What is the InChIKey of 4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[2-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is QSWNWCQQTLKQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O4S/c1-18-4-3-5-20(16-18)14-15-26-25(30)22-8-6-21(7-9-22)17-27-33(31,32)24-12-10-23(11-13-24)28-19(2)29/h3-5,10-13,16,21-22,27H,6-9,14-15,17H2,1-2H3,(H,26,30)(H,28,29).
What are the key properties of 4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[2-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide?
4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[2-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 471.62 g/mol, XLogP of 3.40, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[2-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 20968693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).