N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide

C15H13ClFNO2S — CID 972558

IUPACN-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2ccc(F)cc2)cc1Cl
InChIInChI=1S/C15H13ClFNO2S/c1-20-14-7-4-11(8-13(14)16)18-15(19)9-21-12-5-2-10(17)3-6-12/h2-8H,9H2,1H3,(H,18,19)
InChIKeyBWZAAGQHNKOWBO-UHFFFAOYSA-N
MW325.79 g/mol
LogP4.22
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide

N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide (PubChem CID 972558) has the molecular formula C15H13ClFNO2S and a molecular weight of 325.79 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide
PubChem CID972558
Molecular FormulaC15H13ClFNO2S
Molecular Weight325.79 g/mol
Exact Mass325.03
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2ccc(F)cc2)cc1Cl
InChIInChI=1S/C15H13ClFNO2S/c1-20-14-7-4-11(8-13(14)16)18-15(19)9-21-12-5-2-10(17)3-6-12/h2-8H,9H2,1H3,(H,18,19)
InChIKeyBWZAAGQHNKOWBO-UHFFFAOYSA-N
XLogP4.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.79
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 51891778
N-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)acetamide
CID 26416543
N-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide
CID 2641043
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] (2S)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoate
CID 41296976
4-[[4-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanylphenyl]carbamoyl]benzene-1,3-dicarboxylic acid
CID 22785949
2-(4-chlorophenyl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 738704
N-(3-chloro-4-methoxyphenyl)-2-(2-hydroxyethylsulfanyl)acetamide
CID 2959650
N-(3-chloro-4-methoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 7976869
N-[(Z)-3-[3-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanylanilino]-1-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 19310621
2-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 2978975
N-(2,5-dimethoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 2609676
2-[[amino-(3-chloro-4-methoxyanilino)methylidene]amino]-N-(4-fluorophenyl)acetamide
CID 111089345

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide (CID 972558) is N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide is COc1ccc(NC(=O)CSc2ccc(F)cc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide?
The InChIKey is BWZAAGQHNKOWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO2S/c1-20-14-7-4-11(8-13(14)16)18-15(19)9-21-12-5-2-10(17)3-6-12/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide?
N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide has a molecular weight of 325.79 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 972558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).