2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N,N-dimethylacetamide

C17H18ClNOS — CID 112777252

IUPAC2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N,N-dimethylacetamide
SMILESCN(C)C(=O)CSC(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNOS/c1-19(2)16(20)12-21-17(13-6-4-3-5-7-13)14-8-10-15(18)11-9-14/h3-11,17H,12H2,1-2H3
InChIKeySANANUCYJOJTPB-UHFFFAOYSA-N
MW319.86 g/mol
LogP4.25
Rot. Bonds5

About 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N,N-dimethylacetamide

2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N,N-dimethylacetamide (PubChem CID 112777252) has the molecular formula C17H18ClNOS and a molecular weight of 319.86 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N,N-dimethylacetamide
PubChem CID112777252
Molecular FormulaC17H18ClNOS
Molecular Weight319.86 g/mol
Exact Mass319.08
IUPAC Name2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N,N-dimethylacetamide
SMILESCN(C)C(=O)CSC(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNOS/c1-19(2)16(20)12-21-17(13-6-4-3-5-7-13)14-8-10-15(18)11-9-14/h3-11,17H,12H2,1-2H3
InChIKeySANANUCYJOJTPB-UHFFFAOYSA-N
XLogP4.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.86
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-ethylacetamide
CID 4799568
1-[bis(4-chlorophenyl)methylsulfanyl]propan-2-one
CID 22049857
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2-hydroxypropyl)acetamide
CID 78856326
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-[2-(methylamino)ethyl]acetamide
CID 119500116
2-[2-[2-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide
CID 135680055
N,N-dimethyl-2-[(1R)-1-phenylpropyl]sulfanylacetamide
CID 97223884
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2-methoxyethyl)acetamide
CID 51139553
N-[3-[[2-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]amino]propyl]-2-methylpropanamide
CID 97077393
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 47003851
[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanylacetate
CID 7752645
(2S)-2-[[2-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]amino]-N-ethylpropanamide
CID 8751991
2-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanyl-1-[(3S)-3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone
CID 95782520

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N,N-dimethylacetamide?
The IUPAC name of 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N,N-dimethylacetamide (CID 112777252) is 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N,N-dimethylacetamide?
The canonical SMILES for 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N,N-dimethylacetamide is CN(C)C(=O)CSC(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N,N-dimethylacetamide?
The InChIKey is SANANUCYJOJTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNOS/c1-19(2)16(20)12-21-17(13-6-4-3-5-7-13)14-8-10-15(18)11-9-14/h3-11,17H,12H2,1-2H3.
What are the key properties of 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N,N-dimethylacetamide?
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N,N-dimethylacetamide has a molecular weight of 319.86 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N,N-dimethylacetamide is sourced from PubChem (CID 112777252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).