2-(4-acetamidophenyl)sulfanyl-N-[(4-chlorophenyl)methyl]-N-methylacetamide

C18H19ClN2O2S — CID 4790020

IUPAC2-(4-acetamidophenyl)sulfanyl-N-[(4-chlorophenyl)methyl]-N-methylacetamide
SMILESCC(=O)Nc1ccc(SCC(=O)N(C)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClN2O2S/c1-13(22)20-16-7-9-17(10-8-16)24-12-18(23)21(2)11-14-3-5-15(19)6-4-14/h3-10H,11-12H2,1-2H3,(H,20,22)
InChIKeyWRCKUAAYJBTCHP-UHFFFAOYSA-N
MW362.88 g/mol
LogP4.05
Rot. Bonds6

About 2-(4-acetamidophenyl)sulfanyl-N-[(4-chlorophenyl)methyl]-N-methylacetamide

2-(4-acetamidophenyl)sulfanyl-N-[(4-chlorophenyl)methyl]-N-methylacetamide (PubChem CID 4790020) has the molecular formula C18H19ClN2O2S and a molecular weight of 362.88 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)sulfanyl-N-[(4-chlorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)sulfanyl-N-[(4-chlorophenyl)methyl]-N-methylacetamide
PubChem CID4790020
Molecular FormulaC18H19ClN2O2S
Molecular Weight362.88 g/mol
Exact Mass362.09
IUPAC Name2-(4-acetamidophenyl)sulfanyl-N-[(4-chlorophenyl)methyl]-N-methylacetamide
SMILESCC(=O)Nc1ccc(SCC(=O)N(C)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClN2O2S/c1-13(22)20-16-7-9-17(10-8-16)24-12-18(23)21(2)11-14-3-5-15(19)6-4-14/h3-10H,11-12H2,1-2H3,(H,20,22)
InChIKeyWRCKUAAYJBTCHP-UHFFFAOYSA-N
XLogP4.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]acetamide
CID 71199638
N-[(4-chlorophenyl)methyl]-N-methyl-2-methylsulfanylacetamide
CID 112790205
2-[[2-(4-acetamidophenyl)sulfanylacetyl]-methylamino]-N-(2-chlorophenyl)acetamide
CID 2482106
N-[(4-chlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide
CID 46233830
N-(4-chlorophenyl)-2-[methyl-[2-(4-nitrophenyl)sulfanylacetyl]amino]acetamide
CID 9417356
2-(4-acetamidophenyl)sulfanyl-N-benzyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 16543501
2-(4-acetamidophenyl)sulfanyl-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 55325957
2-(4-acetamidophenyl)-N-[(4-ethylphenyl)methyl]-N-methylacetamide
CID 32754802
3-[(4-chlorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62231249
2-(4-bromophenyl)sulfanyl-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide
CID 26570911
N-methyl-4-[[methyl-[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]benzamide
CID 38748417
2-(4-acetamidophenyl)sulfanyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 51206705

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-[(4-chlorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-[(4-chlorophenyl)methyl]-N-methylacetamide (CID 4790020) is 2-(4-acetamidophenyl)sulfanyl-N-[(4-chlorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)sulfanyl-N-[(4-chlorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(4-acetamidophenyl)sulfanyl-N-[(4-chlorophenyl)methyl]-N-methylacetamide is CC(=O)Nc1ccc(SCC(=O)N(C)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)sulfanyl-N-[(4-chlorophenyl)methyl]-N-methylacetamide?
The InChIKey is WRCKUAAYJBTCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2S/c1-13(22)20-16-7-9-17(10-8-16)24-12-18(23)21(2)11-14-3-5-15(19)6-4-14/h3-10H,11-12H2,1-2H3,(H,20,22).
What are the key properties of 2-(4-acetamidophenyl)sulfanyl-N-[(4-chlorophenyl)methyl]-N-methylacetamide?
2-(4-acetamidophenyl)sulfanyl-N-[(4-chlorophenyl)methyl]-N-methylacetamide has a molecular weight of 362.88 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)sulfanyl-N-[(4-chlorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 4790020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).