N-(2-chlorophenyl)-3-phenylsulfanylpropanamide

C15H14ClNOS — CID 7965800

IUPACN-(2-chlorophenyl)-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)Nc1ccccc1Cl
InChIInChI=1S/C15H14ClNOS/c16-13-8-4-5-9-14(13)17-15(18)10-11-19-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,18)
InChIKeyIHNVOILQLKHKSG-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.46
Rot. Bonds5

About N-(2-chlorophenyl)-3-phenylsulfanylpropanamide

N-(2-chlorophenyl)-3-phenylsulfanylpropanamide (PubChem CID 7965800) has the molecular formula C15H14ClNOS and a molecular weight of 291.80 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-phenylsulfanylpropanamide
PubChem CID7965800
Molecular FormulaC15H14ClNOS
Molecular Weight291.80 g/mol
Exact Mass291.05
IUPAC NameN-(2-chlorophenyl)-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)Nc1ccccc1Cl
InChIInChI=1S/C15H14ClNOS/c16-13-8-4-5-9-14(13)17-15(18)10-11-19-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,18)
InChIKeyIHNVOILQLKHKSG-UHFFFAOYSA-N
XLogP4.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chlorophenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 956628
N-(5-chloro-2,4-disulfamoylphenyl)-3-phenylsulfanylpropanamide
CID 134098190
(2S)-2-amino-3-[3-(2-chloroanilino)-3-oxopropyl]sulfanylpropanoic acid
CID 107773489
3-amino-N-(2-chlorophenyl)propanamide
CID 22692042
2-[3-(2-chloroanilino)-3-oxopropyl]sulfanyl-3-methylbutanoic acid
CID 105354169
3-[3-(2-chloroanilino)-3-oxopropyl]sulfanyl-2-methylpropanoic acid
CID 64916684
N-(2-butan-2-ylphenyl)-3-phenylsulfanylpropanamide
CID 17381777
N-(2-tert-butylphenyl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 7920186
N-(2-chlorophenyl)-2-sulfanylacetamide
CID 679489
N-(2-chlorophenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 17387870
N-(2-chlorophenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 3926266
N-tert-butyl-2-(3-phenylsulfanylpropanoylamino)benzamide
CID 2990149

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-phenylsulfanylpropanamide?
The IUPAC name of N-(2-chlorophenyl)-3-phenylsulfanylpropanamide (CID 7965800) is N-(2-chlorophenyl)-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-phenylsulfanylpropanamide?
The canonical SMILES for N-(2-chlorophenyl)-3-phenylsulfanylpropanamide is O=C(CCSc1ccccc1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-3-phenylsulfanylpropanamide?
The InChIKey is IHNVOILQLKHKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNOS/c16-13-8-4-5-9-14(13)17-15(18)10-11-19-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,18).
What are the key properties of N-(2-chlorophenyl)-3-phenylsulfanylpropanamide?
N-(2-chlorophenyl)-3-phenylsulfanylpropanamide has a molecular weight of 291.80 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-phenylsulfanylpropanamide is sourced from PubChem (CID 7965800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).