3-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylpropanamide

C19H21ClN2O3S — CID 9438269

IUPAC3-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylpropanamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)CCSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H21ClN2O3S/c1-22(13-18(23)21-15-5-7-16(25-2)8-6-15)19(24)11-12-26-17-9-3-14(20)4-10-17/h3-10H,11-13H2,1-2H3,(H,21,23)
InChIKeyJROMHNZZCRIQOQ-UHFFFAOYSA-N
MW392.91 g/mol
LogP3.93
Rot. Bonds8

About 3-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylpropanamide

3-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylpropanamide (PubChem CID 9438269) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylpropanamide
PubChem CID9438269
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC Name3-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylpropanamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)CCSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H21ClN2O3S/c1-22(13-18(23)21-15-5-7-16(25-2)8-6-15)19(24)11-12-26-17-9-3-14(20)4-10-17/h3-10H,11-13H2,1-2H3,(H,21,23)
InChIKeyJROMHNZZCRIQOQ-UHFFFAOYSA-N
XLogP3.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-phenylsulfanylpropanamide
CID 9438819
3-(4-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide
CID 846817
N-(4-chlorophenyl)-4-(4-methoxyphenyl)sulfanylbutanamide
CID 41086497
2-[[2-(4-chlorophenyl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9011910
N-[2-(4-methoxyanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 7936687
methyl 2-[4-(4-chlorophenyl)sulfanylbutanoyl-methylamino]acetate
CID 43407471
3-[3-(4-methoxyphenyl)sulfanylpropanoyl-methylamino]propanoic acid
CID 119232616
2-[3-(4-chlorophenyl)sulfanylpropanoyl-methylamino]acetic acid
CID 43092152
2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 7719333
(E)-3-(4-chlorophenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylprop-2-enamide
CID 7936691
N-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethylbutanamide
CID 9438619
2-[[2-(4-chloro-2-methylphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 8501359

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylpropanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylpropanamide (CID 9438269) is 3-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylpropanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylpropanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylpropanamide is COc1ccc(NC(=O)CN(C)C(=O)CCSc2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylpropanamide?
The InChIKey is JROMHNZZCRIQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-22(13-18(23)21-15-5-7-16(25-2)8-6-15)19(24)11-12-26-17-9-3-14(20)4-10-17/h3-10H,11-13H2,1-2H3,(H,21,23).
What are the key properties of 3-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylpropanamide?
3-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylpropanamide has a molecular weight of 392.91 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylpropanamide is sourced from PubChem (CID 9438269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).