N-[4-[2-(2-chlorophenyl)sulfanylpropanoyl]phenyl]acetamide

C17H16ClNO2S — CID 112778861

IUPACN-[4-[2-(2-chlorophenyl)sulfanylpropanoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)C(C)Sc2ccccc2Cl)cc1
InChIInChI=1S/C17H16ClNO2S/c1-11(22-16-6-4-3-5-15(16)18)17(21)13-7-9-14(10-8-13)19-12(2)20/h3-11H,1-2H3,(H,19,20)
InChIKeyAWCPAFVTPQBYLZ-UHFFFAOYSA-N
MW333.84 g/mol
LogP4.66
Rot. Bonds5

About N-[4-[2-(2-chlorophenyl)sulfanylpropanoyl]phenyl]acetamide

N-[4-[2-(2-chlorophenyl)sulfanylpropanoyl]phenyl]acetamide (PubChem CID 112778861) has the molecular formula C17H16ClNO2S and a molecular weight of 333.84 g/mol. Its IUPAC name is N-[4-[2-(2-chlorophenyl)sulfanylpropanoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(2-chlorophenyl)sulfanylpropanoyl]phenyl]acetamide
PubChem CID112778861
Molecular FormulaC17H16ClNO2S
Molecular Weight333.84 g/mol
Exact Mass333.06
IUPAC NameN-[4-[2-(2-chlorophenyl)sulfanylpropanoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)C(C)Sc2ccccc2Cl)cc1
InChIInChI=1S/C17H16ClNO2S/c1-11(22-16-6-4-3-5-15(16)18)17(21)13-7-9-14(10-8-13)19-12(2)20/h3-11H,1-2H3,(H,19,20)
InChIKeyAWCPAFVTPQBYLZ-UHFFFAOYSA-N
XLogP4.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1-oxo-1-phenylpropan-2-yl)sulfanylphenyl]acetamide
CID 43413830
(2R)-N-(4-acetamidophenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide
CID 7847766
N-[4-[(2R)-2-(2,4-difluorophenyl)sulfanylpropanoyl]phenyl]acetamide
CID 8837256
(2S)-2-(2-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide
CID 9432906
N-[4-[2-[[4-benzyl-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoyl]phenyl]acetamide
CID 112774497
N-[4-[2-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]phenyl]acetamide
CID 112774489
(2R)-N-(4-acetylphenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide
CID 7847771
N-[4-[2-(2-methylquinazolin-4-yl)sulfanylpropanoyl]phenyl]acetamide
CID 84601741
4-acetamido-N-[(1R)-1-(2-chlorophenyl)ethyl]benzamide
CID 27769015
3-[2-(2-chlorophenyl)sulfanylpropanoylamino]-N-methylbenzamide
CID 134037507
N-[4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]phenyl]acetamide
CID 78765240
1-(4-chlorophenyl)-2-(2,5-dichlorophenyl)sulfanylpropan-1-one
CID 43414073

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-chlorophenyl)sulfanylpropanoyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(2-chlorophenyl)sulfanylpropanoyl]phenyl]acetamide (CID 112778861) is N-[4-[2-(2-chlorophenyl)sulfanylpropanoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(2-chlorophenyl)sulfanylpropanoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(2-chlorophenyl)sulfanylpropanoyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)C(C)Sc2ccccc2Cl)cc1.
What is the InChIKey of N-[4-[2-(2-chlorophenyl)sulfanylpropanoyl]phenyl]acetamide?
The InChIKey is AWCPAFVTPQBYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2S/c1-11(22-16-6-4-3-5-15(16)18)17(21)13-7-9-14(10-8-13)19-12(2)20/h3-11H,1-2H3,(H,19,20).
What are the key properties of N-[4-[2-(2-chlorophenyl)sulfanylpropanoyl]phenyl]acetamide?
N-[4-[2-(2-chlorophenyl)sulfanylpropanoyl]phenyl]acetamide has a molecular weight of 333.84 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-chlorophenyl)sulfanylpropanoyl]phenyl]acetamide is sourced from PubChem (CID 112778861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).