3-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide

C18H22N2O4S — CID 9412008

IUPAC3-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C18H22N2O4S/c1-13-4-9-17(12-14(13)2)25(22,23)19-11-10-18(21)20-15-5-7-16(24-3)8-6-15/h4-9,12,19H,10-11H2,1-3H3,(H,20,21)
InChIKeyLRMUIHHDGAJNFX-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.62
Rot. Bonds7

About 3-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide

3-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide (PubChem CID 9412008) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 3-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
PubChem CID9412008
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name3-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C18H22N2O4S/c1-13-4-9-17(12-14(13)2)25(22,23)19-11-10-18(21)20-15-5-7-16(24-3)8-6-15/h4-9,12,19H,10-11H2,1-3H3,(H,20,21)
InChIKeyLRMUIHHDGAJNFX-UHFFFAOYSA-N
XLogP2.62
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,4-dimethylphenyl)sulfonylamino]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 3300002
N-(4-acetamidophenyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192669
3-[(4-fluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 17192102
3-[(4-methoxyphenyl)sulfonylamino]-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 24637727
2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 112998742
N-[3-[2-(4-methoxybenzoyl)hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide
CID 2090650
3-[(4-methoxyphenyl)sulfonylamino]-N-pyridin-4-ylpropanamide
CID 17192611
3-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-iodo-4-methylphenyl)propanamide
CID 26890848
N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 46424583
N-(3,4-dichlorophenyl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 2402359
N-[4-[[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]butanamide
CID 55848949
N-(3,5-dimethoxyphenyl)-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 9466214

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide?
The IUPAC name of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide (CID 9412008) is 3-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for 3-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)cc1.
What is the InChIKey of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide?
The InChIKey is LRMUIHHDGAJNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-13-4-9-17(12-14(13)2)25(22,23)19-11-10-18(21)20-15-5-7-16(24-3)8-6-15/h4-9,12,19H,10-11H2,1-3H3,(H,20,21).
What are the key properties of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide?
3-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide has a molecular weight of 362.45 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 9412008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).