2-[bis(3-chlorophenyl)methylsulfanyl]-N-methylacetamide

C16H15Cl2NOS — CID 118654886

IUPAC2-[bis(3-chlorophenyl)methylsulfanyl]-N-methylacetamide
SMILESCNC(=O)CSC(c1cccc(Cl)c1)c1cccc(Cl)c1
InChIInChI=1S/C16H15Cl2NOS/c1-19-15(20)10-21-16(11-4-2-6-13(17)8-11)12-5-3-7-14(18)9-12/h2-9,16H,10H2,1H3,(H,19,20)
InChIKeyGAFDLCVCYQMXIO-UHFFFAOYSA-N
MW340.28 g/mol
LogP4.56
Rot. Bonds5

About 2-[bis(3-chlorophenyl)methylsulfanyl]-N-methylacetamide

2-[bis(3-chlorophenyl)methylsulfanyl]-N-methylacetamide (PubChem CID 118654886) has the molecular formula C16H15Cl2NOS and a molecular weight of 340.28 g/mol. Its IUPAC name is 2-[bis(3-chlorophenyl)methylsulfanyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[bis(3-chlorophenyl)methylsulfanyl]-N-methylacetamide
PubChem CID118654886
Molecular FormulaC16H15Cl2NOS
Molecular Weight340.28 g/mol
Exact Mass339.03
IUPAC Name2-[bis(3-chlorophenyl)methylsulfanyl]-N-methylacetamide
SMILESCNC(=O)CSC(c1cccc(Cl)c1)c1cccc(Cl)c1
InChIInChI=1S/C16H15Cl2NOS/c1-19-15(20)10-21-16(11-4-2-6-13(17)8-11)12-5-3-7-14(18)9-12/h2-9,16H,10H2,1H3,(H,19,20)
InChIKeyGAFDLCVCYQMXIO-UHFFFAOYSA-N
XLogP4.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.28
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chlorophenyl)-N,4,4-trimethylpentanamide
CID 82088364
2-[[2-amino-1-(3-chlorophenyl)ethyl]-methylamino]-N-methylacetamide
CID 55019741
1-[1-(3-chlorophenyl)ethyl]-3-methylurea
CID 47127326
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-ethylacetamide
CID 4799568
2-[[2-[(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide
CID 55502195
2-chloro-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 3764710
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2-hydroxypropyl)acetamide
CID 78856326
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide
CID 7467431
N-acetyl-2-benzhydrylsulfanylacetamide
CID 23347852
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 47003851
(2S)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 9307503
(2R)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 9307505

Frequently Asked Questions

What is the IUPAC name of 2-[bis(3-chlorophenyl)methylsulfanyl]-N-methylacetamide?
The IUPAC name of 2-[bis(3-chlorophenyl)methylsulfanyl]-N-methylacetamide (CID 118654886) is 2-[bis(3-chlorophenyl)methylsulfanyl]-N-methylacetamide.
What is the SMILES notation for 2-[bis(3-chlorophenyl)methylsulfanyl]-N-methylacetamide?
The canonical SMILES for 2-[bis(3-chlorophenyl)methylsulfanyl]-N-methylacetamide is CNC(=O)CSC(c1cccc(Cl)c1)c1cccc(Cl)c1.
What is the InChIKey of 2-[bis(3-chlorophenyl)methylsulfanyl]-N-methylacetamide?
The InChIKey is GAFDLCVCYQMXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NOS/c1-19-15(20)10-21-16(11-4-2-6-13(17)8-11)12-5-3-7-14(18)9-12/h2-9,16H,10H2,1H3,(H,19,20).
What are the key properties of 2-[bis(3-chlorophenyl)methylsulfanyl]-N-methylacetamide?
2-[bis(3-chlorophenyl)methylsulfanyl]-N-methylacetamide has a molecular weight of 340.28 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(3-chlorophenyl)methylsulfanyl]-N-methylacetamide is sourced from PubChem (CID 118654886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).