3-(benzenesulfonamido)-N-(4-methylidene-2-oxocyclohexyl)propanamide

C16H20N2O4S — CID 159898736

IUPAC3-(benzenesulfonamido)-N-(4-methylidene-2-oxocyclohexyl)propanamide
SMILESC=C1CCC(NC(=O)CCNS(=O)(=O)c2ccccc2)C(=O)C1
InChIInChI=1S/C16H20N2O4S/c1-12-7-8-14(15(19)11-12)18-16(20)9-10-17-23(21,22)13-5-3-2-4-6-13/h2-6,14,17H,1,7-11H2,(H,18,20)
InChIKeyBUSVHNFWZVGYFB-UHFFFAOYSA-N
MW336.41 g/mol
LogP1.15
Rot. Bonds6

About 3-(benzenesulfonamido)-N-(4-methylidene-2-oxocyclohexyl)propanamide

3-(benzenesulfonamido)-N-(4-methylidene-2-oxocyclohexyl)propanamide (PubChem CID 159898736) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-(4-methylidene-2-oxocyclohexyl)propanamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-(4-methylidene-2-oxocyclohexyl)propanamide
PubChem CID159898736
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name3-(benzenesulfonamido)-N-(4-methylidene-2-oxocyclohexyl)propanamide
SMILESC=C1CCC(NC(=O)CCNS(=O)(=O)c2ccccc2)C(=O)C1
InChIInChI=1S/C16H20N2O4S/c1-12-7-8-14(15(19)11-12)18-16(20)9-10-17-23(21,22)13-5-3-2-4-6-13/h2-6,14,17H,1,7-11H2,(H,18,20)
InChIKeyBUSVHNFWZVGYFB-UHFFFAOYSA-N
XLogP1.15
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(benzenesulfonamido)-N-cyclohexylpropanamide
CID 17225810
3-(benzenesulfonamido)-N-[(1R,2S)-2-phenylcyclopropyl]propanamide
CID 95191262
N-[2-(aminomethyl)cyclohexyl]-3-(benzenesulfonamido)propanamide;hydrochloride
CID 119611414
3-(benzenesulfonamido)-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]propanamide
CID 94694763
N-(2,6-dioxopiperidin-3-yl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 163850796
3-(benzenesulfonamido)-N-[cyclopropyl(phenyl)methyl]propanamide
CID 46539927
3-[(4-acetylphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 35805221
3-[(4-fluorophenyl)sulfonylamino]-N-(2-oxothiolan-3-yl)propanamide
CID 17192160
3-[(4-chlorophenyl)sulfonylamino]-N-(3,4-dihydro-2H-thiochromen-4-yl)propanamide
CID 24547813
3-[(3-acetylphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 30939297
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(pyridin-3-ylsulfonylamino)propanamide
CID 94078717
3-(benzenesulfonamido)-N-[4-(cyclohexylsulfamoyl)phenyl]propanamide
CID 17225977

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-(4-methylidene-2-oxocyclohexyl)propanamide?
The IUPAC name of 3-(benzenesulfonamido)-N-(4-methylidene-2-oxocyclohexyl)propanamide (CID 159898736) is 3-(benzenesulfonamido)-N-(4-methylidene-2-oxocyclohexyl)propanamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-(4-methylidene-2-oxocyclohexyl)propanamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-(4-methylidene-2-oxocyclohexyl)propanamide is C=C1CCC(NC(=O)CCNS(=O)(=O)c2ccccc2)C(=O)C1.
What is the InChIKey of 3-(benzenesulfonamido)-N-(4-methylidene-2-oxocyclohexyl)propanamide?
The InChIKey is BUSVHNFWZVGYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-12-7-8-14(15(19)11-12)18-16(20)9-10-17-23(21,22)13-5-3-2-4-6-13/h2-6,14,17H,1,7-11H2,(H,18,20).
What are the key properties of 3-(benzenesulfonamido)-N-(4-methylidene-2-oxocyclohexyl)propanamide?
3-(benzenesulfonamido)-N-(4-methylidene-2-oxocyclohexyl)propanamide has a molecular weight of 336.41 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-(4-methylidene-2-oxocyclohexyl)propanamide is sourced from PubChem (CID 159898736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).