3-(benzenesulfonamido)-N-(cyclohexylmethyl)-2-hydroxybutanamide

C17H26N2O4S — CID 134349887

IUPAC3-(benzenesulfonamido)-N-(cyclohexylmethyl)-2-hydroxybutanamide
SMILESCC(NS(=O)(=O)c1ccccc1)C(O)C(=O)NCC1CCCCC1
InChIInChI=1S/C17H26N2O4S/c1-13(19-24(22,23)15-10-6-3-7-11-15)16(20)17(21)18-12-14-8-4-2-5-9-14/h3,6-7,10-11,13-14,16,19-20H,2,4-5,8-9,12H2,1H3,(H,18,21)
InChIKeyQVDFKRUWMNDXCC-UHFFFAOYSA-N
MW354.47 g/mol
LogP1.41
Rot. Bonds7

About 3-(benzenesulfonamido)-N-(cyclohexylmethyl)-2-hydroxybutanamide

3-(benzenesulfonamido)-N-(cyclohexylmethyl)-2-hydroxybutanamide (PubChem CID 134349887) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-(cyclohexylmethyl)-2-hydroxybutanamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-(cyclohexylmethyl)-2-hydroxybutanamide
PubChem CID134349887
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC Name3-(benzenesulfonamido)-N-(cyclohexylmethyl)-2-hydroxybutanamide
SMILESCC(NS(=O)(=O)c1ccccc1)C(O)C(=O)NCC1CCCCC1
InChIInChI=1S/C17H26N2O4S/c1-13(19-24(22,23)15-10-6-3-7-11-15)16(20)17(21)18-12-14-8-4-2-5-9-14/h3,6-7,10-11,13-14,16,19-20H,2,4-5,8-9,12H2,1H3,(H,18,21)
InChIKeyQVDFKRUWMNDXCC-UHFFFAOYSA-N
XLogP1.41
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-chlorophenyl)sulfonylamino]-N-(cyclopropylmethyl)-2-hydroxybutanamide
CID 134349706
(2S)-N-(cyclohexylmethyl)-2-phenoxypropanamide
CID 95900718
N-[4-(cyclopropylmethylamino)-3-hydroxy-4-oxobutan-2-yl]benzamide
CID 134349733
(3S)-3-amino-N-(cyclopentylmethyl)-2-hydroxy-4-phenylbutanamide
CID 56998596
(2S)-N-(cyclohexylmethyl)-2-(3-fluorophenyl)sulfonylpropanamide
CID 124509791
(2S)-N-(cyclohexylmethyl)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 6724357
N-[(1R)-1-cycloheptylethyl]benzenesulfonamide
CID 81393099
[1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 3-(benzenesulfonylmethyl)furan-2-carboxylate
CID 55466315
(2R)-N-(cyclohexylmethyl)-2-(dimethylamino)-2-phenylacetamide
CID 100566223
3-amino-N-(cyclohexylmethyl)-2-hydroxypentanamide
CID 139329085
N-[(1S)-1-cyclopentylethyl]benzenesulfonamide
CID 81388674
2-(methanesulfonamido)-N-[(4-phenylcyclohexyl)methyl]propanamide
CID 56783962

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-(cyclohexylmethyl)-2-hydroxybutanamide?
The IUPAC name of 3-(benzenesulfonamido)-N-(cyclohexylmethyl)-2-hydroxybutanamide (CID 134349887) is 3-(benzenesulfonamido)-N-(cyclohexylmethyl)-2-hydroxybutanamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-(cyclohexylmethyl)-2-hydroxybutanamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-(cyclohexylmethyl)-2-hydroxybutanamide is CC(NS(=O)(=O)c1ccccc1)C(O)C(=O)NCC1CCCCC1.
What is the InChIKey of 3-(benzenesulfonamido)-N-(cyclohexylmethyl)-2-hydroxybutanamide?
The InChIKey is QVDFKRUWMNDXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-13(19-24(22,23)15-10-6-3-7-11-15)16(20)17(21)18-12-14-8-4-2-5-9-14/h3,6-7,10-11,13-14,16,19-20H,2,4-5,8-9,12H2,1H3,(H,18,21).
What are the key properties of 3-(benzenesulfonamido)-N-(cyclohexylmethyl)-2-hydroxybutanamide?
3-(benzenesulfonamido)-N-(cyclohexylmethyl)-2-hydroxybutanamide has a molecular weight of 354.47 g/mol, XLogP of 1.41, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-(cyclohexylmethyl)-2-hydroxybutanamide is sourced from PubChem (CID 134349887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).