N-[2-(2-chlorophenyl)sulfanyl-1-phenylethyl]acetamide

C16H16ClNOS — CID 141414605

IUPACN-[2-(2-chlorophenyl)sulfanyl-1-phenylethyl]acetamide
SMILESCC(=O)NC(CSc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C16H16ClNOS/c1-12(19)18-15(13-7-3-2-4-8-13)11-20-16-10-6-5-9-14(16)17/h2-10,15H,11H2,1H3,(H,18,19)
InChIKeyWQPORPMVZGFUHQ-UHFFFAOYSA-N
MW305.83 g/mol
LogP4.31
Rot. Bonds5

About N-[2-(2-chlorophenyl)sulfanyl-1-phenylethyl]acetamide

N-[2-(2-chlorophenyl)sulfanyl-1-phenylethyl]acetamide (PubChem CID 141414605) has the molecular formula C16H16ClNOS and a molecular weight of 305.83 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)sulfanyl-1-phenylethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)sulfanyl-1-phenylethyl]acetamide
PubChem CID141414605
Molecular FormulaC16H16ClNOS
Molecular Weight305.83 g/mol
Exact Mass305.06
IUPAC NameN-[2-(2-chlorophenyl)sulfanyl-1-phenylethyl]acetamide
SMILESCC(=O)NC(CSc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C16H16ClNOS/c1-12(19)18-15(13-7-3-2-4-8-13)11-20-16-10-6-5-9-14(16)17/h2-10,15H,11H2,1H3,(H,18,19)
InChIKeyWQPORPMVZGFUHQ-UHFFFAOYSA-N
XLogP4.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-benzylsulfanyl-1-phenylethyl)acetamide
CID 13447277
N-(1-phenyl-2-propylsulfanylethyl)acetamide
CID 141414603
N-[2-(4-methoxyphenyl)sulfanyl-1-phenylethyl]acetamide
CID 15686336
(3S)-3-acetamido-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide
CID 9165289
N-(3-methyl-1-phenylbut-3-enyl)acetamide
CID 69439748
(3S)-3-acetamido-3-phenylpropanoate
CID 6935995
3-acetamido-N-(3-chloro-2-methylphenyl)-3-phenylpropanamide
CID 17401242
N-[(1R)-1-phenylbut-3-enyl]acetamide
CID 40521523
3-acetamido-N-(3,4-dichlorophenyl)-3-phenylpropanamide
CID 24638755
propan-2-yl 3-[(3-acetamido-3-phenylpropanoyl)amino]-3-(2-chlorophenyl)propanoate
CID 24516279
CID 57067406
CID 57067406
N-(2-diethylphosphanyl-1-phenylethyl)acetamide
CID 175089746

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)sulfanyl-1-phenylethyl]acetamide?
The IUPAC name of N-[2-(2-chlorophenyl)sulfanyl-1-phenylethyl]acetamide (CID 141414605) is N-[2-(2-chlorophenyl)sulfanyl-1-phenylethyl]acetamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)sulfanyl-1-phenylethyl]acetamide?
The canonical SMILES for N-[2-(2-chlorophenyl)sulfanyl-1-phenylethyl]acetamide is CC(=O)NC(CSc1ccccc1Cl)c1ccccc1.
What is the InChIKey of N-[2-(2-chlorophenyl)sulfanyl-1-phenylethyl]acetamide?
The InChIKey is WQPORPMVZGFUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNOS/c1-12(19)18-15(13-7-3-2-4-8-13)11-20-16-10-6-5-9-14(16)17/h2-10,15H,11H2,1H3,(H,18,19).
What are the key properties of N-[2-(2-chlorophenyl)sulfanyl-1-phenylethyl]acetamide?
N-[2-(2-chlorophenyl)sulfanyl-1-phenylethyl]acetamide has a molecular weight of 305.83 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)sulfanyl-1-phenylethyl]acetamide is sourced from PubChem (CID 141414605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).