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

C15H14ClNOS — CID 11551042

IUPACN-(5-chloro-2-phenylsulfanylphenyl)propanamide
SMILESCCC(=O)Nc1cc(Cl)ccc1Sc1ccccc1
InChIInChI=1S/C15H14ClNOS/c1-2-15(18)17-13-10-11(16)8-9-14(13)19-12-6-4-3-5-7-12/h3-10H,2H2,1H3,(H,17,18)
InChIKeyZMIBXISIJZMTLR-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.84
Rot. Bonds4

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

N-(5-chloro-2-phenylsulfanylphenyl)propanamide (PubChem CID 11551042) has the molecular formula C15H14ClNOS and a molecular weight of 291.80 g/mol. Its IUPAC name is N-(5-chloro-2-phenylsulfanylphenyl)propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-phenylsulfanylphenyl)propanamide
PubChem CID11551042
Molecular FormulaC15H14ClNOS
Molecular Weight291.80 g/mol
Exact Mass291.05
IUPAC NameN-(5-chloro-2-phenylsulfanylphenyl)propanamide
SMILESCCC(=O)Nc1cc(Cl)ccc1Sc1ccccc1
InChIInChI=1S/C15H14ClNOS/c1-2-15(18)17-13-10-11(16)8-9-14(13)19-12-6-4-3-5-7-12/h3-10H,2H2,1H3,(H,17,18)
InChIKeyZMIBXISIJZMTLR-UHFFFAOYSA-N
XLogP4.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-chloro-N-(2-((4-chlorophenyl)sulfanyl)phenyl)acetamide
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2-Chloro-N-[2-(phenylsulfanyl)phenyl]acetamide
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3-Amino-1-(2-chloro-phenothiazin-10-yl)-propan-1-one
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4-(2-chloro-10H-phenothiazin-10-yl)-4-oxobutan-1-amine
CID 2900517
N-(3-(2-Chloro-10H-phenothiazin-10-yl)propyl)acetamide
CID 478592
4-Acetamido-4'-chlorodiphenyl sulfone
CID 246667
N-(3-chloro-4-fluorophenyl)-N'-[2-(methylthio)phenyl]urea
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1-(3-Chlorophenyl)-3-(2-methylsulfanylphenyl)urea
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N-[5-chloro-2-(phenylsulfanyl)phenyl]-2-phenylacetamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-phenylsulfanylphenyl)propanamide?
The IUPAC name of N-(5-chloro-2-phenylsulfanylphenyl)propanamide (CID 11551042) is N-(5-chloro-2-phenylsulfanylphenyl)propanamide.
What is the SMILES notation for N-(5-chloro-2-phenylsulfanylphenyl)propanamide?
The canonical SMILES for N-(5-chloro-2-phenylsulfanylphenyl)propanamide is CCC(=O)Nc1cc(Cl)ccc1Sc1ccccc1.
What is the InChIKey of N-(5-chloro-2-phenylsulfanylphenyl)propanamide?
The InChIKey is ZMIBXISIJZMTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNOS/c1-2-15(18)17-13-10-11(16)8-9-14(13)19-12-6-4-3-5-7-12/h3-10H,2H2,1H3,(H,17,18).
What are the key properties of N-(5-chloro-2-phenylsulfanylphenyl)propanamide?
N-(5-chloro-2-phenylsulfanylphenyl)propanamide has a molecular weight of 291.80 g/mol, XLogP of 4.84, 4 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)propanamide is sourced from PubChem (CID 11551042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).