2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-propan-2-ylacetamide

C14H21N3O5S — CID 9189598

IUPAC2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-propan-2-ylacetamide
SMILESCOc1cc(S(=O)(=O)NCC(=O)NC(C)C)ccc1NC(C)=O
InChIInChI=1S/C14H21N3O5S/c1-9(2)16-14(19)8-15-23(20,21)11-5-6-12(17-10(3)18)13(7-11)22-4/h5-7,9,15H,8H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyIRVWCSXZOAZYJD-UHFFFAOYSA-N
MW343.41 g/mol
LogP0.46
Rot. Bonds7

About 2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-propan-2-ylacetamide

2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-propan-2-ylacetamide (PubChem CID 9189598) has the molecular formula C14H21N3O5S and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-propan-2-ylacetamide
PubChem CID9189598
Molecular FormulaC14H21N3O5S
Molecular Weight343.41 g/mol
Exact Mass343.12
IUPAC Name2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-propan-2-ylacetamide
SMILESCOc1cc(S(=O)(=O)NCC(=O)NC(C)C)ccc1NC(C)=O
InChIInChI=1S/C14H21N3O5S/c1-9(2)16-14(19)8-15-23(20,21)11-5-6-12(17-10(3)18)13(7-11)22-4/h5-7,9,15H,8H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyIRVWCSXZOAZYJD-UHFFFAOYSA-N
XLogP0.46
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-propan-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-methylacetamide
CID 9302272
N-(2,4-dimethoxyphenyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide
CID 112999258
methyl 2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-methylpentanoate
CID 18532455
(2R)-2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-ethylpropanamide
CID 8802619
[4-[[(4-acetamido-3-methoxyphenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium
CID 9191389
N-(4-acetamidophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]acetamide
CID 112999771
N-[4-[(2-acetylphenyl)sulfamoyl]-2-methoxyphenyl]acetamide
CID 8603481
N-[4-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 2468130
N-[4-[1-(4-fluorophenyl)ethylsulfamoyl]-2-methoxyphenyl]acetamide
CID 4877871
2-[(4-bromophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 126155694
2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 112999269
N-(2-hydrazinyl-2-oxoethyl)-3,4-dimethoxybenzenesulfonamide
CID 126128860

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-propan-2-ylacetamide (CID 9189598) is 2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-propan-2-ylacetamide is COc1cc(S(=O)(=O)NCC(=O)NC(C)C)ccc1NC(C)=O.
What is the InChIKey of 2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-propan-2-ylacetamide?
The InChIKey is IRVWCSXZOAZYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O5S/c1-9(2)16-14(19)8-15-23(20,21)11-5-6-12(17-10(3)18)13(7-11)22-4/h5-7,9,15H,8H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of 2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-propan-2-ylacetamide?
2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-propan-2-ylacetamide has a molecular weight of 343.41 g/mol, XLogP of 0.46, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 9189598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).