N-(4-acetamidophenyl)sulfonyl-2-(1-hydroxycyclohexyl)acetamide

C16H22N2O5S — CID 102513772

IUPACN-(4-acetamidophenyl)sulfonyl-2-(1-hydroxycyclohexyl)acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC(=O)CC2(O)CCCCC2)cc1
InChIInChI=1S/C16H22N2O5S/c1-12(19)17-13-5-7-14(8-6-13)24(22,23)18-15(20)11-16(21)9-3-2-4-10-16/h5-8,21H,2-4,9-11H2,1H3,(H,17,19)(H,18,20)
InChIKeyKYBWYIOKCDGTTG-UHFFFAOYSA-N
MW354.43 g/mol
LogP1.54
Rot. Bonds5

About N-(4-acetamidophenyl)sulfonyl-2-(1-hydroxycyclohexyl)acetamide

N-(4-acetamidophenyl)sulfonyl-2-(1-hydroxycyclohexyl)acetamide (PubChem CID 102513772) has the molecular formula C16H22N2O5S and a molecular weight of 354.43 g/mol. Its IUPAC name is N-(4-acetamidophenyl)sulfonyl-2-(1-hydroxycyclohexyl)acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)sulfonyl-2-(1-hydroxycyclohexyl)acetamide
PubChem CID102513772
Molecular FormulaC16H22N2O5S
Molecular Weight354.43 g/mol
Exact Mass354.12
IUPAC NameN-(4-acetamidophenyl)sulfonyl-2-(1-hydroxycyclohexyl)acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC(=O)CC2(O)CCCCC2)cc1
InChIInChI=1S/C16H22N2O5S/c1-12(19)17-13-5-7-14(8-6-13)24(22,23)18-15(20)11-16(21)9-3-2-4-10-16/h5-8,21H,2-4,9-11H2,1H3,(H,17,19)(H,18,20)
InChIKeyKYBWYIOKCDGTTG-UHFFFAOYSA-N
XLogP1.54
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N,N'-bis[(4-acetamidophenyl)sulfonyl]heptanediamide
CID 102513773
N-[4-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]phenyl]acetamide
CID 110292661
N-[4-[[1-(hydroxymethyl)cyclopentyl]methylsulfamoyl]phenyl]acetamide
CID 110642376
2-(1-hydroxycyclohexyl)-N-[4-(sulfamoylmethyl)phenyl]acetamide
CID 138042895
N-(5-acetamido-2-fluorophenyl)-2-(1-hydroxycyclohexyl)acetamide
CID 111331778
N,N'-bis[4-(acetylsulfamoyl)phenyl]hexanediamide
CID 3474503
N,N'-bis[4-(acetylsulfamoyl)phenyl]pentanediamide
CID 4199591
N-[4-[(3-hydroxypyrrolidin-3-yl)methylsulfamoyl]phenyl]acetamide
CID 114760106
N-[4-[(4-acetamidophenyl)sulfonylsulfamoyl]phenyl]acetamide
CID 71349024
N-[4-[[(1-hydroxycyclohexyl)methylamino]methyl]phenyl]acetamide
CID 62865493
2-(1-hydroxycyclohexyl)-N-[4-(2-methylsulfanylethyl)phenyl]acetamide
CID 111537938
N-[4-(3-methylbutanoylsulfamoyl)phenyl]cyclohexanecarboxamide
CID 1116699

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)sulfonyl-2-(1-hydroxycyclohexyl)acetamide?
The IUPAC name of N-(4-acetamidophenyl)sulfonyl-2-(1-hydroxycyclohexyl)acetamide (CID 102513772) is N-(4-acetamidophenyl)sulfonyl-2-(1-hydroxycyclohexyl)acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)sulfonyl-2-(1-hydroxycyclohexyl)acetamide?
The canonical SMILES for N-(4-acetamidophenyl)sulfonyl-2-(1-hydroxycyclohexyl)acetamide is CC(=O)Nc1ccc(S(=O)(=O)NC(=O)CC2(O)CCCCC2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)sulfonyl-2-(1-hydroxycyclohexyl)acetamide?
The InChIKey is KYBWYIOKCDGTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5S/c1-12(19)17-13-5-7-14(8-6-13)24(22,23)18-15(20)11-16(21)9-3-2-4-10-16/h5-8,21H,2-4,9-11H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-(4-acetamidophenyl)sulfonyl-2-(1-hydroxycyclohexyl)acetamide?
N-(4-acetamidophenyl)sulfonyl-2-(1-hydroxycyclohexyl)acetamide has a molecular weight of 354.43 g/mol, XLogP of 1.54, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)sulfonyl-2-(1-hydroxycyclohexyl)acetamide is sourced from PubChem (CID 102513772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).