2-(benzenesulfonamido)-N-(4-methoxyphenyl)propanamide

C16H18N2O4S — CID 3923761

IUPAC2-(benzenesulfonamido)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C16H18N2O4S/c1-12(18-23(20,21)15-6-4-3-5-7-15)16(19)17-13-8-10-14(22-2)11-9-13/h3-12,18H,1-2H3,(H,17,19)
InChIKeyDIZHFAXKTGFKSU-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.00
Rot. Bonds6

About 2-(benzenesulfonamido)-N-(4-methoxyphenyl)propanamide

2-(benzenesulfonamido)-N-(4-methoxyphenyl)propanamide (PubChem CID 3923761) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-(4-methoxyphenyl)propanamide
PubChem CID3923761
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name2-(benzenesulfonamido)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C16H18N2O4S/c1-12(18-23(20,21)15-6-4-3-5-7-15)16(19)17-13-8-10-14(22-2)11-9-13/h3-12,18H,1-2H3,(H,17,19)
InChIKeyDIZHFAXKTGFKSU-UHFFFAOYSA-N
XLogP2.00
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxyphenyl)sulfonylamino]-N-phenylpropanamide
CID 2980013
(2S)-N-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 40534613
(2S)-2-(benzenesulfonamido)-N-phenylpropanamide
CID 41330853
(2R)-N-(4-fluorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 124548460
N-(4-acetamidophenyl)-2-(benzenesulfonamido)propanamide
CID 4240198
(2S)-2-[(3-chlorophenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 9042158
2-(benzenesulfonamido)-N-(4-iodophenyl)propanamide
CID 2955850
(2S)-2-(benzenesulfonamido)-N-(3,4-dimethoxyphenyl)propanamide
CID 51432486
(1-anilino-1-oxopropan-2-yl) (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55928591
N-(3,4-dimethoxyphenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 3918637
(2S)-N-[4-(benzimidazol-1-yl)phenyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 24513087
N-(1-hydrazinyl-1-oxopropan-2-yl)-4-methoxybenzenesulfonamide
CID 3351082

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-(4-methoxyphenyl)propanamide?
The IUPAC name of 2-(benzenesulfonamido)-N-(4-methoxyphenyl)propanamide (CID 3923761) is 2-(benzenesulfonamido)-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)C(C)NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-(benzenesulfonamido)-N-(4-methoxyphenyl)propanamide?
The InChIKey is DIZHFAXKTGFKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-12(18-23(20,21)15-6-4-3-5-7-15)16(19)17-13-8-10-14(22-2)11-9-13/h3-12,18H,1-2H3,(H,17,19).
What are the key properties of 2-(benzenesulfonamido)-N-(4-methoxyphenyl)propanamide?
2-(benzenesulfonamido)-N-(4-methoxyphenyl)propanamide has a molecular weight of 334.40 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 3923761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).