N-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylacetamide

C18H14ClNOS — CID 4560101

IUPACN-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylacetamide
SMILESO=C(CSc1ccc2ccccc2c1)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H14ClNOS/c19-15-6-8-16(9-7-15)20-18(21)12-22-17-10-5-13-3-1-2-4-14(13)11-17/h1-11H,12H2,(H,20,21)
InChIKeyBQEDMIWGPBWXJP-UHFFFAOYSA-N
MW327.84 g/mol
LogP5.22
Rot. Bonds4

About N-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylacetamide

N-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylacetamide (PubChem CID 4560101) has the molecular formula C18H14ClNOS and a molecular weight of 327.84 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylacetamide
PubChem CID4560101
Molecular FormulaC18H14ClNOS
Molecular Weight327.84 g/mol
Exact Mass327.05
IUPAC NameN-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylacetamide
SMILESO=C(CSc1ccc2ccccc2c1)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H14ClNOS/c19-15-6-8-16(9-7-15)20-18(21)12-22-17-10-5-13-3-1-2-4-14(13)11-17/h1-11H,12H2,(H,20,21)
InChIKeyBQEDMIWGPBWXJP-UHFFFAOYSA-N
XLogP5.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.84
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylacetamide 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

2-(3,4-difluorophenyl)sulfanyl-N-naphthalen-2-ylacetamide
CID 7736930
N-[4-(2-anilino-2-oxoethyl)sulfanylphenyl]-2-(4-chlorophenyl)acetamide
CID 22775721
2-naphthalen-2-ylsulfanyl-N-(4-sulfamoylphenyl)acetamide
CID 2225782
2-(4-chlorophenyl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 738704
N-[2-(4-chlorophenyl)sulfanylethyl]-2-naphthalen-2-ylsulfanylacetamide
CID 7630379
4-[4-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylanilino]-4-oxobutanoic acid
CID 22786345
N-(3,4-dimethoxyphenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 2500878
N-[2-(4-chlorophenyl)ethyl]-2-naphthalen-2-ylsulfanylacetamide
CID 2098696
2-fluoro-N-[4-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 22779257
2,4-dichloro-N-[3-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 18902188
N-[3-(carbamoylamino)phenyl]-2-naphthalen-2-ylsulfanylacetamide
CID 55539737
1-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylethanone
CID 840044

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylacetamide (CID 4560101) is N-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylacetamide is O=C(CSc1ccc2ccccc2c1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylacetamide?
The InChIKey is BQEDMIWGPBWXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNOS/c19-15-6-8-16(9-7-15)20-18(21)12-22-17-10-5-13-3-1-2-4-14(13)11-17/h1-11H,12H2,(H,20,21).
What are the key properties of N-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylacetamide?
N-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylacetamide has a molecular weight of 327.84 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylacetamide is sourced from PubChem (CID 4560101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).