N-[(2R)-1-[(4-acetylphenyl)sulfonylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide

C18H24N2O5S — CID 97195810

IUPACN-[(2R)-1-[(4-acetylphenyl)sulfonylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide
SMILESCC(=O)c1ccc(S(=O)(=O)NC(=O)[C@@H](C)NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C18H24N2O5S/c1-12(19-18(23)15-6-4-3-5-7-15)17(22)20-26(24,25)16-10-8-14(9-11-16)13(2)21/h8-12,15H,3-7H2,1-2H3,(H,19,23)(H,20,22)/t12-/m1/s1
InChIKeyWGJQXAGTCQMGKT-GFCCVEGCSA-N
MW380.47 g/mol
LogP1.78
Rot. Bonds6

About N-[(2R)-1-[(4-acetylphenyl)sulfonylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide

N-[(2R)-1-[(4-acetylphenyl)sulfonylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide (PubChem CID 97195810) has the molecular formula C18H24N2O5S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[(2R)-1-[(4-acetylphenyl)sulfonylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(2R)-1-[(4-acetylphenyl)sulfonylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide
PubChem CID97195810
Molecular FormulaC18H24N2O5S
Molecular Weight380.47 g/mol
Exact Mass380.14
IUPAC NameN-[(2R)-1-[(4-acetylphenyl)sulfonylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide
SMILESCC(=O)c1ccc(S(=O)(=O)NC(=O)[C@@H](C)NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C18H24N2O5S/c1-12(19-18(23)15-6-4-3-5-7-15)17(22)20-26(24,25)16-10-8-14(9-11-16)13(2)21/h8-12,15H,3-7H2,1-2H3,(H,19,23)(H,20,22)/t12-/m1/s1
InChIKeyWGJQXAGTCQMGKT-GFCCVEGCSA-N
XLogP1.78
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-1-oxo-1-(pyridin-3-ylsulfonylamino)propan-2-yl]cyclohexanecarboxamide
CID 97065422
N-[(2R)-1-anilino-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 94194364
N-[4-(3-methylbutanoylsulfamoyl)phenyl]cyclohexanecarboxamide
CID 1116699
4-acetyl-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide
CID 8816993
4-acetyl-N-[(1S)-1-cyclopropylethyl]benzenesulfonamide
CID 8816988
N-[(2S)-1-[4-(methanesulfonamido)anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 94117942
N-[1-oxo-1-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propan-2-yl]cyclopropanecarboxamide
CID 42952930
4-(4-acetylphenyl)-N-cyclopentylbenzenesulfonamide
CID 110454111
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylcyclohexanecarboxamide
CID 1350854
4-acetyl-N-(3-oxobutan-2-yl)benzenesulfonamide
CID 64994023
N-pyridin-4-ylsulfonylcyclohexanecarboxamide
CID 71911683
methyl 2-(cycloheptanecarbonylamino)propanoate
CID 55208947

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[(4-acetylphenyl)sulfonylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[(2R)-1-[(4-acetylphenyl)sulfonylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide (CID 97195810) is N-[(2R)-1-[(4-acetylphenyl)sulfonylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(2R)-1-[(4-acetylphenyl)sulfonylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[(2R)-1-[(4-acetylphenyl)sulfonylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide is CC(=O)c1ccc(S(=O)(=O)NC(=O)[C@@H](C)NC(=O)C2CCCCC2)cc1.
What is the InChIKey of N-[(2R)-1-[(4-acetylphenyl)sulfonylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide?
The InChIKey is WGJQXAGTCQMGKT-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H24N2O5S/c1-12(19-18(23)15-6-4-3-5-7-15)17(22)20-26(24,25)16-10-8-14(9-11-16)13(2)21/h8-12,15H,3-7H2,1-2H3,(H,19,23)(H,20,22)/t12-/m1/s1.
What are the key properties of N-[(2R)-1-[(4-acetylphenyl)sulfonylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide?
N-[(2R)-1-[(4-acetylphenyl)sulfonylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide has a molecular weight of 380.47 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[(4-acetylphenyl)sulfonylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 97195810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).