2-benzylsulfanyl-N-[(4-chlorophenyl)methyl]acetamide

C16H16ClNOS — CID 880125

IUPAC2-benzylsulfanyl-N-[(4-chlorophenyl)methyl]acetamide
SMILESO=C(CSCc1ccccc1)NCc1ccc(Cl)cc1
InChIInChI=1S/C16H16ClNOS/c17-15-8-6-13(7-9-15)10-18-16(19)12-20-11-14-4-2-1-3-5-14/h1-9H,10-12H2,(H,18,19)
InChIKeyQFTBRDBBBMMJOP-UHFFFAOYSA-N
MW305.83 g/mol
LogP3.89
Rot. Bonds6

About 2-benzylsulfanyl-N-[(4-chlorophenyl)methyl]acetamide

2-benzylsulfanyl-N-[(4-chlorophenyl)methyl]acetamide (PubChem CID 880125) has the molecular formula C16H16ClNOS and a molecular weight of 305.83 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[(4-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[(4-chlorophenyl)methyl]acetamide
PubChem CID880125
Molecular FormulaC16H16ClNOS
Molecular Weight305.83 g/mol
Exact Mass305.06
IUPAC Name2-benzylsulfanyl-N-[(4-chlorophenyl)methyl]acetamide
SMILESO=C(CSCc1ccccc1)NCc1ccc(Cl)cc1
InChIInChI=1S/C16H16ClNOS/c17-15-8-6-13(7-9-15)10-18-16(19)12-20-11-14-4-2-1-3-5-14/h1-9H,10-12H2,(H,18,19)
InChIKeyQFTBRDBBBMMJOP-UHFFFAOYSA-N
XLogP3.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]methyl]benzamide
CID 33094692
2-benzylsulfanyl-N-[2-[(2-benzylsulfanylacetyl)amino]ethyl]acetamide
CID 7784841
N-benzyl-2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]acetamide
CID 2819419
2-[(4-chlorophenyl)methylsulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide
CID 31322315
2-[(4-chlorophenyl)methylsulfanyl]-N-(2-chloroprop-2-enyl)acetamide
CID 115637013
3-[[2-(benzylamino)-2-oxoethyl]sulfanylmethyl]benzoic acid
CID 94804307
2-benzylsulfanyl-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 114182024
2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(N-methylanilino)ethyl]acetamide
CID 55447419
methyl 2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]acetate
CID 8552014
5-[[(2-benzylsulfanylacetyl)amino]methyl]furan-2-carboxylic acid
CID 79993972
N-[(5-bromothiophen-2-yl)methyl]-2-[(4-chlorophenyl)methylsulfanyl]acetamide
CID 33295688
2-[(4-cyanophenyl)methylsulfanyl]-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 55766106

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-[(4-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-benzylsulfanyl-N-[(4-chlorophenyl)methyl]acetamide (CID 880125) is 2-benzylsulfanyl-N-[(4-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-[(4-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-[(4-chlorophenyl)methyl]acetamide is O=C(CSCc1ccccc1)NCc1ccc(Cl)cc1.
What is the InChIKey of 2-benzylsulfanyl-N-[(4-chlorophenyl)methyl]acetamide?
The InChIKey is QFTBRDBBBMMJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNOS/c17-15-8-6-13(7-9-15)10-18-16(19)12-20-11-14-4-2-1-3-5-14/h1-9H,10-12H2,(H,18,19).
What are the key properties of 2-benzylsulfanyl-N-[(4-chlorophenyl)methyl]acetamide?
2-benzylsulfanyl-N-[(4-chlorophenyl)methyl]acetamide has a molecular weight of 305.83 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[(4-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 880125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).