N-benzyl-2-(4-chlorophenyl)sulfanylacetamide

C15H14ClNOS — CID 879808

IUPACN-benzyl-2-(4-chlorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(Cl)cc1)NCc1ccccc1
InChIInChI=1S/C15H14ClNOS/c16-13-6-8-14(9-7-13)19-11-15(18)17-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,17,18)
InChIKeyVOLPMYSKMKFIAF-UHFFFAOYSA-N
MW291.80 g/mol
LogP3.75
Rot. Bonds5

About N-benzyl-2-(4-chlorophenyl)sulfanylacetamide

N-benzyl-2-(4-chlorophenyl)sulfanylacetamide (PubChem CID 879808) has the molecular formula C15H14ClNOS and a molecular weight of 291.80 g/mol. Its IUPAC name is N-benzyl-2-(4-chlorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-chlorophenyl)sulfanylacetamide
PubChem CID879808
Molecular FormulaC15H14ClNOS
Molecular Weight291.80 g/mol
Exact Mass291.05
IUPAC NameN-benzyl-2-(4-chlorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(Cl)cc1)NCc1ccccc1
InChIInChI=1S/C15H14ClNOS/c16-13-6-8-14(9-7-13)19-11-15(18)17-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,17,18)
InChIKeyVOLPMYSKMKFIAF-UHFFFAOYSA-N
XLogP3.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2,2,2-trichloro-1-(4-chlorophenyl)sulfanylethyl]benzamide
CID 3277297
N-Benzyl-2-p-tolylsulfanyl-acetamide
CID 846551
N-benzyl-2-phenylsulfanylacetamide
CID 846429
N-(1-phenylethyl)-2-(phenylthio)acetamide
CID 2889950
A-350619
CID 11111893
N-[2-(4-chlorophenyl)sulfanylacetyl]benzamide
CID 2567536
3-[(2-chlorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)propanamide
CID 4988112
3-[(4-chlorobenzyl)thio]-N-(thien-2-ylmethyl)propanamide
CID 5179108
2-(4-Chlorophenyl)-5-methyl-1,3-thiazolidin-4-one
CID 2828158
2-chloro-N-[2-(phenylsulfanyl)ethyl]benzamide
CID 2284706
2-(2-Chlorophenyl)-1,3-thiazolidin-4-one
CID 3121283
2-(benzylsulfonyl)-N-(2-chlorobenzyl)acetamide
CID 2210190

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-chlorophenyl)sulfanylacetamide?
The IUPAC name of N-benzyl-2-(4-chlorophenyl)sulfanylacetamide (CID 879808) is N-benzyl-2-(4-chlorophenyl)sulfanylacetamide.
What is the SMILES notation for N-benzyl-2-(4-chlorophenyl)sulfanylacetamide?
The canonical SMILES for N-benzyl-2-(4-chlorophenyl)sulfanylacetamide is O=C(CSc1ccc(Cl)cc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(4-chlorophenyl)sulfanylacetamide?
The InChIKey is VOLPMYSKMKFIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNOS/c16-13-6-8-14(9-7-13)19-11-15(18)17-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,17,18).
What are the key properties of N-benzyl-2-(4-chlorophenyl)sulfanylacetamide?
N-benzyl-2-(4-chlorophenyl)sulfanylacetamide has a molecular weight of 291.80 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-chlorophenyl)sulfanylacetamide is sourced from PubChem (CID 879808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).