N-(3-acetamido-4-methylphenyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide

C20H25N3O6S — CID 55845943

IUPACN-(3-acetamido-4-methylphenyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(C)c(NC(C)=O)c2)cc1OC
InChIInChI=1S/C20H25N3O6S/c1-13-5-6-15(11-17(13)22-14(2)24)23-20(25)9-10-21-30(26,27)16-7-8-18(28-3)19(12-16)29-4/h5-8,11-12,21H,9-10H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyQPAAZWCFWKQPIT-UHFFFAOYSA-N
MW435.50 g/mol
LogP2.28
Rot. Bonds9

About N-(3-acetamido-4-methylphenyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide

N-(3-acetamido-4-methylphenyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide (PubChem CID 55845943) has the molecular formula C20H25N3O6S and a molecular weight of 435.50 g/mol. Its IUPAC name is N-(3-acetamido-4-methylphenyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(3-acetamido-4-methylphenyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
PubChem CID55845943
Molecular FormulaC20H25N3O6S
Molecular Weight435.50 g/mol
Exact Mass435.15
IUPAC NameN-(3-acetamido-4-methylphenyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(C)c(NC(C)=O)c2)cc1OC
InChIInChI=1S/C20H25N3O6S/c1-13-5-6-15(11-17(13)22-14(2)24)23-20(25)9-10-21-30(26,27)16-7-8-18(28-3)19(12-16)29-4/h5-8,11-12,21H,9-10H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyQPAAZWCFWKQPIT-UHFFFAOYSA-N
XLogP2.28
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(3-acetamido-4-methylphenyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide 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

N-(3-acetamido-4-methoxyphenyl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 24666799
N-(5-acetamido-2-methoxyphenyl)-3-[(4-chlorophenyl)sulfonylamino]propanamide
CID 17481718
3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 34304049
3-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 9412008
3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[2,6-di(propan-2-yl)phenyl]propanamide
CID 55362076
N-[6-(diethylamino)-3-pyridinyl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 55845442
3-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-iodo-4-methylphenyl)propanamide
CID 26890848
2-[3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoylamino]acetic acid
CID 119171293
N-(4-acetamidophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]acetamide
CID 112999771
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 2602588
N-(4-acetamidophenyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192669
N-(3,4-dichlorophenyl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 2402359

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-methylphenyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide?
The IUPAC name of N-(3-acetamido-4-methylphenyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide (CID 55845943) is N-(3-acetamido-4-methylphenyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(3-acetamido-4-methylphenyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(3-acetamido-4-methylphenyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide is COc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(C)c(NC(C)=O)c2)cc1OC.
What is the InChIKey of N-(3-acetamido-4-methylphenyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide?
The InChIKey is QPAAZWCFWKQPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O6S/c1-13-5-6-15(11-17(13)22-14(2)24)23-20(25)9-10-21-30(26,27)16-7-8-18(28-3)19(12-16)29-4/h5-8,11-12,21H,9-10H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N-(3-acetamido-4-methylphenyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide?
N-(3-acetamido-4-methylphenyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide has a molecular weight of 435.50 g/mol, XLogP of 2.28, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-methylphenyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 55845943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).