2-(3-chlorophenyl)sulfanyl-N-(1-phenylethyl)acetamide

C16H16ClNOS — CID 2951148

IUPAC2-(3-chlorophenyl)sulfanyl-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CSc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C16H16ClNOS/c1-12(13-6-3-2-4-7-13)18-16(19)11-20-15-9-5-8-14(17)10-15/h2-10,12H,11H2,1H3,(H,18,19)
InChIKeyYBVVTCQTEHIEQU-UHFFFAOYSA-N
MW305.83 g/mol
LogP4.31
Rot. Bonds5

About 2-(3-chlorophenyl)sulfanyl-N-(1-phenylethyl)acetamide

2-(3-chlorophenyl)sulfanyl-N-(1-phenylethyl)acetamide (PubChem CID 2951148) has the molecular formula C16H16ClNOS and a molecular weight of 305.83 g/mol. Its IUPAC name is 2-(3-chlorophenyl)sulfanyl-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)sulfanyl-N-(1-phenylethyl)acetamide
PubChem CID2951148
Molecular FormulaC16H16ClNOS
Molecular Weight305.83 g/mol
Exact Mass305.06
IUPAC Name2-(3-chlorophenyl)sulfanyl-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CSc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C16H16ClNOS/c1-12(13-6-3-2-4-7-13)18-16(19)11-20-15-9-5-8-14(17)10-15/h2-10,12H,11H2,1H3,(H,18,19)
InChIKeyYBVVTCQTEHIEQU-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-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950
N-[(1R)-1-phenylethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2575823
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 7284441
2-benzylsulfanyl-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 7377224
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide
CID 7467431
2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 8858207
2-(4-fluorophenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 894218
N-[1-(3,4-difluorophenyl)ethyl]-2-phenylsulfanylacetamide
CID 51150831
N-[1-(3-chlorophenyl)ethyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 4875335
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 40529502
2-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanylpropanoic acid
CID 43237479
2-chloro-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 3764710

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)sulfanyl-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(3-chlorophenyl)sulfanyl-N-(1-phenylethyl)acetamide (CID 2951148) is 2-(3-chlorophenyl)sulfanyl-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)sulfanyl-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(3-chlorophenyl)sulfanyl-N-(1-phenylethyl)acetamide is CC(NC(=O)CSc1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of 2-(3-chlorophenyl)sulfanyl-N-(1-phenylethyl)acetamide?
The InChIKey is YBVVTCQTEHIEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNOS/c1-12(13-6-3-2-4-7-13)18-16(19)11-20-15-9-5-8-14(17)10-15/h2-10,12H,11H2,1H3,(H,18,19).
What are the key properties of 2-(3-chlorophenyl)sulfanyl-N-(1-phenylethyl)acetamide?
2-(3-chlorophenyl)sulfanyl-N-(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 2-(3-chlorophenyl)sulfanyl-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 2951148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).