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

C15H14ClNO2S — CID 1486402

IUPACN-(2-chlorophenyl)-2-(4-methoxyphenyl)sulfanylacetamide
SMILESCOc1ccc(SCC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C15H14ClNO2S/c1-19-11-6-8-12(9-7-11)20-10-15(18)17-14-5-3-2-4-13(14)16/h2-9H,10H2,1H3,(H,17,18)
InChIKeyRVTNIIXEZGCJIR-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.08
Rot. Bonds5

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

N-(2-chlorophenyl)-2-(4-methoxyphenyl)sulfanylacetamide (PubChem CID 1486402) has the molecular formula C15H14ClNO2S and a molecular weight of 307.80 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(4-methoxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(4-methoxyphenyl)sulfanylacetamide
PubChem CID1486402
Molecular FormulaC15H14ClNO2S
Molecular Weight307.80 g/mol
Exact Mass307.04
IUPAC NameN-(2-chlorophenyl)-2-(4-methoxyphenyl)sulfanylacetamide
SMILESCOc1ccc(SCC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C15H14ClNO2S/c1-19-11-6-8-12(9-7-11)20-10-15(18)17-14-5-3-2-4-13(14)16/h2-9H,10H2,1H3,(H,17,18)
InChIKeyRVTNIIXEZGCJIR-UHFFFAOYSA-N
XLogP4.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chlorophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide
CID 1483400
2-[(2-chlorophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide
CID 1486373
2-[(2-chlorophenyl)sulfonyl]-N-(4-methoxyphenyl)acetamide
CID 1486374
2-(4-chlorophenyl)sulfanyl-N-(2-phenoxyphenyl)acetamide
CID 1364321
2-(4-chlorophenoxy)-N-(2-methylsulfanylphenyl)acetamide
CID 956352
N-(4-methoxyphenyl)-2-(phenylthio)propanamide
CID 2890263
3-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)propanamide
CID 1331007
N-(4-methoxyphenyl)-4-phenylsulfanylbutanamide
CID 2115838
2-[(3-chlorophenyl)sulfonyl]-N-(4-methoxyphenyl)acetamide
CID 1486366
2-[(3,4-dichlorophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide
CID 1486376
N-(2-chlorophenyl)-2-[(4-methoxyphenyl)sulfinyl]acetamide
CID 1486413
N-(2,4-dichlorophenyl)-2-[(4-methoxyphenyl)sulfinyl]acetamide
CID 1488223

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(4-methoxyphenyl)sulfanylacetamide?
The IUPAC name of N-(2-chlorophenyl)-2-(4-methoxyphenyl)sulfanylacetamide (CID 1486402) is N-(2-chlorophenyl)-2-(4-methoxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(4-methoxyphenyl)sulfanylacetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(4-methoxyphenyl)sulfanylacetamide is COc1ccc(SCC(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of N-(2-chlorophenyl)-2-(4-methoxyphenyl)sulfanylacetamide?
The InChIKey is RVTNIIXEZGCJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2S/c1-19-11-6-8-12(9-7-11)20-10-15(18)17-14-5-3-2-4-13(14)16/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of N-(2-chlorophenyl)-2-(4-methoxyphenyl)sulfanylacetamide?
N-(2-chlorophenyl)-2-(4-methoxyphenyl)sulfanylacetamide has a molecular weight of 307.80 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(4-methoxyphenyl)sulfanylacetamide is sourced from PubChem (CID 1486402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).