N-(5-chloro-2-phenylsulfanylphenyl)-2-phenylacetamide

C20H16ClNOS — CID 2480386

IUPACN-(5-chloro-2-phenylsulfanylphenyl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1cc(Cl)ccc1Sc1ccccc1
InChIInChI=1S/C20H16ClNOS/c21-16-11-12-19(24-17-9-5-2-6-10-17)18(14-16)22-20(23)13-15-7-3-1-4-8-15/h1-12,14H,13H2,(H,22,23)
InChIKeyXQCFHDCUVOOGPX-UHFFFAOYSA-N
MW353.87 g/mol
LogP5.67
Rot. Bonds5

About N-(5-chloro-2-phenylsulfanylphenyl)-2-phenylacetamide

N-(5-chloro-2-phenylsulfanylphenyl)-2-phenylacetamide (PubChem CID 2480386) has the molecular formula C20H16ClNOS and a molecular weight of 353.87 g/mol. Its IUPAC name is N-(5-chloro-2-phenylsulfanylphenyl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-phenylsulfanylphenyl)-2-phenylacetamide
PubChem CID2480386
Molecular FormulaC20H16ClNOS
Molecular Weight353.87 g/mol
Exact Mass353.06
IUPAC NameN-(5-chloro-2-phenylsulfanylphenyl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1cc(Cl)ccc1Sc1ccccc1
InChIInChI=1S/C20H16ClNOS/c21-16-11-12-19(24-17-9-5-2-6-10-17)18(14-16)22-20(23)13-15-7-3-1-4-8-15/h1-12,14H,13H2,(H,22,23)
InChIKeyXQCFHDCUVOOGPX-UHFFFAOYSA-N
XLogP5.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.87
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 44580186
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N-(3-chloro-4-phenylphenyl)-2-(4-ethylsulfonylphenyl)acetamide
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2-phenyl-N-(2-phenylsulfanylphenyl)acetamide
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3-Chloro-N-[2-({[(3-chloro-4-methylphenyl)carbamoyl]methyl}sulfanyl)phenyl]benzamide
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2-chloro-N-[2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 1434894
N-2-biphenylyl-2-[(4-chlorophenyl)thio]propanamide
CID 2942743
N-(3-chlorophenyl)-2-(4-oxo-2-phenyl-3,4-dihydrobenzo[b][1,4]thiazepin-5(2H)-yl)acetamide
CID 16010397
2-(2-Chlorophenyl)-2h-1,4-benzothiazin-3(4h)-one
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10-benzoyl-2-chloro-10H-phenothiazine
CID 830741
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CID 900781
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CID 4466100

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-phenylsulfanylphenyl)-2-phenylacetamide?
The IUPAC name of N-(5-chloro-2-phenylsulfanylphenyl)-2-phenylacetamide (CID 2480386) is N-(5-chloro-2-phenylsulfanylphenyl)-2-phenylacetamide.
What is the SMILES notation for N-(5-chloro-2-phenylsulfanylphenyl)-2-phenylacetamide?
The canonical SMILES for N-(5-chloro-2-phenylsulfanylphenyl)-2-phenylacetamide is O=C(Cc1ccccc1)Nc1cc(Cl)ccc1Sc1ccccc1.
What is the InChIKey of N-(5-chloro-2-phenylsulfanylphenyl)-2-phenylacetamide?
The InChIKey is XQCFHDCUVOOGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNOS/c21-16-11-12-19(24-17-9-5-2-6-10-17)18(14-16)22-20(23)13-15-7-3-1-4-8-15/h1-12,14H,13H2,(H,22,23).
What are the key properties of N-(5-chloro-2-phenylsulfanylphenyl)-2-phenylacetamide?
N-(5-chloro-2-phenylsulfanylphenyl)-2-phenylacetamide has a molecular weight of 353.87 g/mol, XLogP of 5.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-phenylsulfanylphenyl)-2-phenylacetamide is sourced from PubChem (CID 2480386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).