2-chloro-N-(4-phenylsulfanylphenyl)acetamide

C14H12ClNOS — CID 12734393

IUPAC2-chloro-N-(4-phenylsulfanylphenyl)acetamide
SMILESO=C(CCl)Nc1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C14H12ClNOS/c15-10-14(17)16-11-6-8-13(9-7-11)18-12-4-2-1-3-5-12/h1-9H,10H2,(H,16,17)
InChIKeyFATZNMVZHACSGW-UHFFFAOYSA-N
MW277.78 g/mol
LogP4.02
Rot. Bonds4

About 2-chloro-N-(4-phenylsulfanylphenyl)acetamide

2-chloro-N-(4-phenylsulfanylphenyl)acetamide (PubChem CID 12734393) has the molecular formula C14H12ClNOS and a molecular weight of 277.78 g/mol. Its IUPAC name is 2-chloro-N-(4-phenylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(4-phenylsulfanylphenyl)acetamide
PubChem CID12734393
Molecular FormulaC14H12ClNOS
Molecular Weight277.78 g/mol
Exact Mass277.03
IUPAC Name2-chloro-N-(4-phenylsulfanylphenyl)acetamide
SMILESO=C(CCl)Nc1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C14H12ClNOS/c15-10-14(17)16-11-6-8-13(9-7-11)18-12-4-2-1-3-5-12/h1-9H,10H2,(H,16,17)
InChIKeyFATZNMVZHACSGW-UHFFFAOYSA-N
XLogP4.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[4-[4-(dimethylamino)phenyl]sulfanylphenyl]acetamide
CID 139650052
2-(3,4-dimethylphenoxy)-N-(4-phenylsulfanylphenyl)acetamide
CID 1121779
4-[4-(4-chlorophenyl)sulfanylanilino]-4-oxobutanoic acid
CID 15943018
N-(4-aminophenyl)-2-chloroacetamide
CID 17325387
2-chloro-N-(4-fluorophenyl)acetamide
CID 532065
N-[4-(4-nitrophenyl)sulfanylphenyl]-2-phenylsulfanylacetamide
CID 1317844
2-amino-N-[4-(4-methylphenyl)sulfanylphenyl]acetamide
CID 70625884
2-chloro-N-[4-(phenoxymethyl)phenyl]acetamide
CID 82108856
2-chloro-N-(4-cyclopentylsulfanylphenyl)acetamide
CID 43700029
2-chloro-N-[4-(N-ethylanilino)phenyl]acetamide
CID 11369740
2-chloro-N-[4-[[4-[(2-chloroacetyl)amino]phenyl]diazenyl]phenyl]acetamide
CID 86022306
2-chloro-N-[3-[(2-chloroacetyl)amino]phenyl]acetamide
CID 3742979

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-phenylsulfanylphenyl)acetamide?
The IUPAC name of 2-chloro-N-(4-phenylsulfanylphenyl)acetamide (CID 12734393) is 2-chloro-N-(4-phenylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-chloro-N-(4-phenylsulfanylphenyl)acetamide?
The canonical SMILES for 2-chloro-N-(4-phenylsulfanylphenyl)acetamide is O=C(CCl)Nc1ccc(Sc2ccccc2)cc1.
What is the InChIKey of 2-chloro-N-(4-phenylsulfanylphenyl)acetamide?
The InChIKey is FATZNMVZHACSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNOS/c15-10-14(17)16-11-6-8-13(9-7-11)18-12-4-2-1-3-5-12/h1-9H,10H2,(H,16,17).
What are the key properties of 2-chloro-N-(4-phenylsulfanylphenyl)acetamide?
2-chloro-N-(4-phenylsulfanylphenyl)acetamide has a molecular weight of 277.78 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-phenylsulfanylphenyl)acetamide is sourced from PubChem (CID 12734393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).