2-((4-Chlorophenyl)thio)-N-(2,5-dimethoxyphenyl)acetamide

C16H16ClNO3S — CID 846639

IUPAC2-(4-chlorophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOC1=CC(=C(C=C1)OC)NC(=O)CSC2=CC=C(C=C2)Cl
InChIInChI=1S/C16H16ClNO3S/c1-20-12-5-8-15(21-2)14(9-12)18-16(19)10-22-13-6-3-11(17)4-7-13/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyNTXUJHDNSXDJFH-UHFFFAOYSA-N
MW337.80 g/mol
LogP3.90
Rot. Bonds6

About 2-((4-Chlorophenyl)thio)-N-(2,5-dimethoxyphenyl)acetamide

2-((4-Chlorophenyl)thio)-N-(2,5-dimethoxyphenyl)acetamide (PubChem CID 846639) has the molecular formula C16H16ClNO3S and a molecular weight of 337.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-((4-Chlorophenyl)thio)-N-(2,5-dimethoxyphenyl)acetamide
PubChem CID846639
Molecular FormulaC16H16ClNO3S
Molecular Weight337.80 g/mol
Exact Mass337.05
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOC1=CC(=C(C=C1)OC)NC(=O)CSC2=CC=C(C=C2)Cl
InChIInChI=1S/C16H16ClNO3S/c1-20-12-5-8-15(21-2)14(9-12)18-16(19)10-22-13-6-3-11(17)4-7-13/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyNTXUJHDNSXDJFH-UHFFFAOYSA-N
XLogP3.90
TPSA72.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity350

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.80
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Acetamide, N-(2,5-dimethoxyphenyl)-2-phenylthio-
CID 532046
N-(2,5-dimethoxyphenyl)-4-phenylsulfanylbutanamide
CID 4826814
2-((4-chlorophenyl)thio)-N-(2-phenoxyphenyl)acetamide
CID 1364321
Cambridge id 7058103
CID 1330898
[2-(2,5-Dimethoxyanilino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate
CID 2497046
3-(4-chlorophenyl)sulfonyl-N-[2,5-diethoxy-4-(4-morpholinyl)phenyl]propanamide
CID 2998437
[2-(2,5-Dimethoxyanilino)-2-oxoethyl] 3-(4-chlorophenyl)sulfonylpropanoate
CID 2444693
1-[(4-chlorophenyl)sulfonyl]-N-(3-methoxyphenyl)cyclopropanecarboxamide
CID 15994794
2-((4-chlorophenyl)thio)-N-(2-methoxy-5-methylphenyl)acetamide
CID 894454
N-(2,5-dimethoxyphenyl)-2-(phenylsulfonyl)acetamide
CID 891798
[2-(2-Ethoxyanilino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate
CID 2091212
N-(5-chloro-2-phenoxyphenyl)-2-(phenylthio)acetamide
CID 2212014

Frequently Asked Questions

What is the IUPAC name of 2-((4-Chlorophenyl)thio)-N-(2,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-((4-Chlorophenyl)thio)-N-(2,5-dimethoxyphenyl)acetamide (CID 846639) is 2-(4-chlorophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-((4-Chlorophenyl)thio)-N-(2,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-((4-Chlorophenyl)thio)-N-(2,5-dimethoxyphenyl)acetamide is COC1=CC(=C(C=C1)OC)NC(=O)CSC2=CC=C(C=C2)Cl.
What is the InChIKey of 2-((4-Chlorophenyl)thio)-N-(2,5-dimethoxyphenyl)acetamide?
The InChIKey is NTXUJHDNSXDJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3S/c1-20-12-5-8-15(21-2)14(9-12)18-16(19)10-22-13-6-3-11(17)4-7-13/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of 2-((4-Chlorophenyl)thio)-N-(2,5-dimethoxyphenyl)acetamide?
2-((4-Chlorophenyl)thio)-N-(2,5-dimethoxyphenyl)acetamide has a molecular weight of 337.80 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-((4-Chlorophenyl)thio)-N-(2,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 846639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).