2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-ethylacetamide

C17H18ClNOS — CID 4799568

IUPAC2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-ethylacetamide
SMILESCCNC(=O)CSC(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNOS/c1-2-19-16(20)12-21-17(13-6-4-3-5-7-13)14-8-10-15(18)11-9-14/h3-11,17H,2,12H2,1H3,(H,19,20)
InChIKeyQUAXQGYCHPJFDE-UHFFFAOYSA-N
MW319.86 g/mol
LogP4.30
Rot. Bonds6

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

2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-ethylacetamide (PubChem CID 4799568) has the molecular formula C17H18ClNOS and a molecular weight of 319.86 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-ethylacetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-ethylacetamide
PubChem CID4799568
Molecular FormulaC17H18ClNOS
Molecular Weight319.86 g/mol
Exact Mass319.08
IUPAC Name2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-ethylacetamide
SMILESCCNC(=O)CSC(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNOS/c1-2-19-16(20)12-21-17(13-6-4-3-5-7-13)14-8-10-15(18)11-9-14/h3-11,17H,2,12H2,1H3,(H,19,20)
InChIKeyQUAXQGYCHPJFDE-UHFFFAOYSA-N
XLogP4.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.86
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-ethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[[2-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]amino]-N-ethylpropanamide
CID 8751991
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2-hydroxypropyl)acetamide
CID 78856326
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-[2-(methylamino)ethyl]acetamide
CID 119500116
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-[2-[2-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide
CID 135680055
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 47003849
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N,N-dimethylacetamide
CID 112777252
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 47003851
2-benzhydrylsulfanyl-N-[(2-chlorophenyl)methyl]acetamide
CID 47003835
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(cyclopropylcarbamoyl)acetamide
CID 86932181
1-[bis(4-chlorophenyl)methylsulfanyl]propan-2-one
CID 22049857

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-ethylacetamide?
The IUPAC name of 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-ethylacetamide (CID 4799568) is 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-ethylacetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-ethylacetamide?
The canonical SMILES for 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-ethylacetamide is CCNC(=O)CSC(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-ethylacetamide?
The InChIKey is QUAXQGYCHPJFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNOS/c1-2-19-16(20)12-21-17(13-6-4-3-5-7-13)14-8-10-15(18)11-9-14/h3-11,17H,2,12H2,1H3,(H,19,20).
What are the key properties of 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-ethylacetamide?
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-ethylacetamide has a molecular weight of 319.86 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-ethylacetamide is sourced from PubChem (CID 4799568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).