2-(3-acetamidophenyl)sulfanyl-N-(2,4-dimethoxyphenyl)propanamide

C19H22N2O4S — CID 18900966

IUPAC2-(3-acetamidophenyl)sulfanyl-N-(2,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)Sc2cccc(NC(C)=O)c2)c(OC)c1
InChIInChI=1S/C19H22N2O4S/c1-12(26-16-7-5-6-14(10-16)20-13(2)22)19(23)21-17-9-8-15(24-3)11-18(17)25-4/h5-12H,1-4H3,(H,20,22)(H,21,23)
InChIKeyWABYHOLCTNYHAU-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.78
Rot. Bonds7

About 2-(3-acetamidophenyl)sulfanyl-N-(2,4-dimethoxyphenyl)propanamide

2-(3-acetamidophenyl)sulfanyl-N-(2,4-dimethoxyphenyl)propanamide (PubChem CID 18900966) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 2-(3-acetamidophenyl)sulfanyl-N-(2,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(3-acetamidophenyl)sulfanyl-N-(2,4-dimethoxyphenyl)propanamide
PubChem CID18900966
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name2-(3-acetamidophenyl)sulfanyl-N-(2,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)Sc2cccc(NC(C)=O)c2)c(OC)c1
InChIInChI=1S/C19H22N2O4S/c1-12(26-16-7-5-6-14(10-16)20-13(2)22)19(23)21-17-9-8-15(24-3)11-18(17)25-4/h5-12H,1-4H3,(H,20,22)(H,21,23)
InChIKeyWABYHOLCTNYHAU-UHFFFAOYSA-N
XLogP3.78
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylpropanamide
CID 19316287
N-(2,4-dimethoxyphenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide
CID 18905862
(E)-4-[3-[1-(2,4-dimethoxyanilino)-1-oxopropan-2-yl]sulfanylanilino]-4-oxobut-2-enoic acid
CID 18896730
N-(2,4-dimethoxyphenyl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylpropanamide
CID 19316863
2-(3-acetamidophenyl)sulfanyl-N-(2,4-dimethoxyphenyl)-2-phenylacetamide
CID 18901182
N-[3-[1-(2,4-dimethoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]furan-2-carboxamide
CID 18904422
N-(2,4-dimethoxyphenyl)-2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylpropanamide
CID 18901830
N-[3-[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]cyclopropanecarboxamide
CID 18901255
(2R)-N-(2,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 9398153
2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(2,5-dimethoxyphenyl)propanamide
CID 19317152
N-[3-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methoxybenzamide
CID 18903294
N-[(E)-3-[3-[1-(2,4-dimethoxyanilino)-1-oxopropan-2-yl]sulfanylanilino]-3-oxo-1-(4-propan-2-ylphenyl)prop-1-en-2-yl]benzamide
CID 19311103

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidophenyl)sulfanyl-N-(2,4-dimethoxyphenyl)propanamide?
The IUPAC name of 2-(3-acetamidophenyl)sulfanyl-N-(2,4-dimethoxyphenyl)propanamide (CID 18900966) is 2-(3-acetamidophenyl)sulfanyl-N-(2,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for 2-(3-acetamidophenyl)sulfanyl-N-(2,4-dimethoxyphenyl)propanamide?
The canonical SMILES for 2-(3-acetamidophenyl)sulfanyl-N-(2,4-dimethoxyphenyl)propanamide is COc1ccc(NC(=O)C(C)Sc2cccc(NC(C)=O)c2)c(OC)c1.
What is the InChIKey of 2-(3-acetamidophenyl)sulfanyl-N-(2,4-dimethoxyphenyl)propanamide?
The InChIKey is WABYHOLCTNYHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-12(26-16-7-5-6-14(10-16)20-13(2)22)19(23)21-17-9-8-15(24-3)11-18(17)25-4/h5-12H,1-4H3,(H,20,22)(H,21,23).
What are the key properties of 2-(3-acetamidophenyl)sulfanyl-N-(2,4-dimethoxyphenyl)propanamide?
2-(3-acetamidophenyl)sulfanyl-N-(2,4-dimethoxyphenyl)propanamide has a molecular weight of 374.46 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidophenyl)sulfanyl-N-(2,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 18900966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).