N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-phenylsulfanylpropanamide

C19H22N2O3S — CID 9438819

IUPACN-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-phenylsulfanylpropanamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)CCSc2ccccc2)cc1
InChIInChI=1S/C19H22N2O3S/c1-21(19(23)12-13-25-17-6-4-3-5-7-17)14-18(22)20-15-8-10-16(24-2)11-9-15/h3-11H,12-14H2,1-2H3,(H,20,22)
InChIKeyBYACCPQQNZVCDB-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.27
Rot. Bonds8

About N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-phenylsulfanylpropanamide

N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-phenylsulfanylpropanamide (PubChem CID 9438819) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-phenylsulfanylpropanamide
PubChem CID9438819
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-phenylsulfanylpropanamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)CCSc2ccccc2)cc1
InChIInChI=1S/C19H22N2O3S/c1-21(19(23)12-13-25-17-6-4-3-5-7-17)14-18(22)20-15-8-10-16(24-2)11-9-15/h3-11H,12-14H2,1-2H3,(H,20,22)
InChIKeyBYACCPQQNZVCDB-UHFFFAOYSA-N
XLogP3.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylpropanamide
CID 9438269
N-(4-methoxyphenyl)-4-(3-phenylsulfanylpropanoylamino)benzamide
CID 9415706
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-phenylsulfanylpropanamide
CID 9439766
N-[2-(4-methoxyanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 7936687
(3S)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-phenylbutanamide
CID 9438680
2-[(2-benzylsulfanylacetyl)-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9438577
3-[3-(4-methoxyphenyl)sulfanylpropanoyl-methylamino]propanoic acid
CID 119232616
2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 7719333
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylsulfanylpropanamide
CID 27807987
N-[2-(4-methoxyanilino)-2-oxoethyl]-3-(3-methoxyphenyl)-N-methylpropanamide
CID 31973261
3-(4-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide
CID 846817
N-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethylbutanamide
CID 9438619

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-phenylsulfanylpropanamide?
The IUPAC name of N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-phenylsulfanylpropanamide (CID 9438819) is N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-phenylsulfanylpropanamide?
The canonical SMILES for N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-phenylsulfanylpropanamide is COc1ccc(NC(=O)CN(C)C(=O)CCSc2ccccc2)cc1.
What is the InChIKey of N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-phenylsulfanylpropanamide?
The InChIKey is BYACCPQQNZVCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-21(19(23)12-13-25-17-6-4-3-5-7-17)14-18(22)20-15-8-10-16(24-2)11-9-15/h3-11H,12-14H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-phenylsulfanylpropanamide?
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-phenylsulfanylpropanamide has a molecular weight of 358.46 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-phenylsulfanylpropanamide is sourced from PubChem (CID 9438819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).