3-[(4-acetamidophenyl)sulfonylamino]-N-(2,3-dimethylcyclohexyl)-4-methylpentanamide

C22H35N3O4S — CID 25047611

IUPAC3-[(4-acetamidophenyl)sulfonylamino]-N-(2,3-dimethylcyclohexyl)-4-methylpentanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC(CC(=O)NC2CCCC(C)C2C)C(C)C)cc1
InChIInChI=1S/C22H35N3O4S/c1-14(2)21(13-22(27)24-20-8-6-7-15(3)16(20)4)25-30(28,29)19-11-9-18(10-12-19)23-17(5)26/h9-12,14-16,20-21,25H,6-8,13H2,1-5H3,(H,23,26)(H,24,27)
InChIKeyNAQNKCIBWKFJBM-UHFFFAOYSA-N
MW437.61 g/mol
LogP3.28
Rot. Bonds8

About 3-[(4-acetamidophenyl)sulfonylamino]-N-(2,3-dimethylcyclohexyl)-4-methylpentanamide

3-[(4-acetamidophenyl)sulfonylamino]-N-(2,3-dimethylcyclohexyl)-4-methylpentanamide (PubChem CID 25047611) has the molecular formula C22H35N3O4S and a molecular weight of 437.61 g/mol. Its IUPAC name is 3-[(4-acetamidophenyl)sulfonylamino]-N-(2,3-dimethylcyclohexyl)-4-methylpentanamide.

Molecular Properties

Compound Name3-[(4-acetamidophenyl)sulfonylamino]-N-(2,3-dimethylcyclohexyl)-4-methylpentanamide
PubChem CID25047611
Molecular FormulaC22H35N3O4S
Molecular Weight437.61 g/mol
Exact Mass437.23
IUPAC Name3-[(4-acetamidophenyl)sulfonylamino]-N-(2,3-dimethylcyclohexyl)-4-methylpentanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC(CC(=O)NC2CCCC(C)C2C)C(C)C)cc1
InChIInChI=1S/C22H35N3O4S/c1-14(2)21(13-22(27)24-20-8-6-7-15(3)16(20)4)25-30(28,29)19-11-9-18(10-12-19)23-17(5)26/h9-12,14-16,20-21,25H,6-8,13H2,1-5H3,(H,23,26)(H,24,27)
InChIKeyNAQNKCIBWKFJBM-UHFFFAOYSA-N
XLogP3.28
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.61
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(4-acetamidophenyl)-2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]propanamide
CID 11946761
N-[4-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]carbamothioyl]phenyl]acetamide
CID 6599147
(2S)-N-(4-acetamidophenyl)-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]propanamide
CID 11946763
[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 4-acetamidobenzoate
CID 11919406
N-(2,3-dimethylcyclohexyl)-3-[(4-fluorophenyl)sulfonylamino]-3-(4-methoxyphenyl)propanamide
CID 25041867
(2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]propanamide
CID 11933385
N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide
CID 3113473
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(2-methylcyclohexyl)oxyethyl]propanamide
CID 55939568
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-3-methylbutanoic acid
CID 773550
N-[4-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 39086802
N-[4-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]phenyl]acetamide
CID 27059218
4-methyl-N-[(2S)-3-methyl-1-[[(1S,2S)-2-[[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butyl]amino]cyclohexyl]amino]butan-2-yl]benzenesulfonamide
CID 11650072

Frequently Asked Questions

What is the IUPAC name of 3-[(4-acetamidophenyl)sulfonylamino]-N-(2,3-dimethylcyclohexyl)-4-methylpentanamide?
The IUPAC name of 3-[(4-acetamidophenyl)sulfonylamino]-N-(2,3-dimethylcyclohexyl)-4-methylpentanamide (CID 25047611) is 3-[(4-acetamidophenyl)sulfonylamino]-N-(2,3-dimethylcyclohexyl)-4-methylpentanamide.
What is the SMILES notation for 3-[(4-acetamidophenyl)sulfonylamino]-N-(2,3-dimethylcyclohexyl)-4-methylpentanamide?
The canonical SMILES for 3-[(4-acetamidophenyl)sulfonylamino]-N-(2,3-dimethylcyclohexyl)-4-methylpentanamide is CC(=O)Nc1ccc(S(=O)(=O)NC(CC(=O)NC2CCCC(C)C2C)C(C)C)cc1.
What is the InChIKey of 3-[(4-acetamidophenyl)sulfonylamino]-N-(2,3-dimethylcyclohexyl)-4-methylpentanamide?
The InChIKey is NAQNKCIBWKFJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O4S/c1-14(2)21(13-22(27)24-20-8-6-7-15(3)16(20)4)25-30(28,29)19-11-9-18(10-12-19)23-17(5)26/h9-12,14-16,20-21,25H,6-8,13H2,1-5H3,(H,23,26)(H,24,27).
What are the key properties of 3-[(4-acetamidophenyl)sulfonylamino]-N-(2,3-dimethylcyclohexyl)-4-methylpentanamide?
3-[(4-acetamidophenyl)sulfonylamino]-N-(2,3-dimethylcyclohexyl)-4-methylpentanamide has a molecular weight of 437.61 g/mol, XLogP of 3.28, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-acetamidophenyl)sulfonylamino]-N-(2,3-dimethylcyclohexyl)-4-methylpentanamide is sourced from PubChem (CID 25047611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).