N-[2-(4-methoxyphenyl)ethyl]-2-sulfanylbenzamide

C16H17NO2S — CID 103601610

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-sulfanylbenzamide
SMILESCOc1ccc(CCNC(=O)c2ccccc2S)cc1
InChIInChI=1S/C16H17NO2S/c1-19-13-8-6-12(7-9-13)10-11-17-16(18)14-4-2-3-5-15(14)20/h2-9,20H,10-11H2,1H3,(H,17,18)
InChIKeyKCADINFBWNNSBO-UHFFFAOYSA-N
MW287.38 g/mol
LogP2.96
Rot. Bonds5

About N-[2-(4-methoxyphenyl)ethyl]-2-sulfanylbenzamide

N-[2-(4-methoxyphenyl)ethyl]-2-sulfanylbenzamide (PubChem CID 103601610) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-sulfanylbenzamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-sulfanylbenzamide
PubChem CID103601610
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-sulfanylbenzamide
SMILESCOc1ccc(CCNC(=O)c2ccccc2S)cc1
InChIInChI=1S/C16H17NO2S/c1-19-13-8-6-12(7-9-13)10-11-17-16(18)14-4-2-3-5-15(14)20/h2-9,20H,10-11H2,1H3,(H,17,18)
InChIKeyKCADINFBWNNSBO-UHFFFAOYSA-N
XLogP2.96
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 699177
N-[2-(4-methoxyphenyl)ethyl]naphthalene-1-carboxamide
CID 2231008
2,3-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 35509323
2,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 18189798
N-[2-(4-methoxyphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 100708090
N-[2-[(2-methoxyacetyl)amino]ethyl]-2-sulfanylbenzamide
CID 108542258
2-[(4-methoxybenzoyl)amino]-N-(2-phenylethyl)benzamide
CID 2193182
N-[2-(4-methoxyphenyl)ethyl]naphthalene-2-carboxamide
CID 1343397
2-(2-methylprop-2-enoyloxy)ethyl 2-[2-(4-methoxyphenyl)ethylcarbamoyl]benzoate
CID 130191243
N-[2-(4-methoxyphenyl)ethyl]-2-[(2,3,4,5,6-pentafluorophenyl)methylamino]benzamide
CID 16577157
2-fluoro-6-hydroxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 104916422
N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 2516124

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-sulfanylbenzamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-sulfanylbenzamide (CID 103601610) is N-[2-(4-methoxyphenyl)ethyl]-2-sulfanylbenzamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-sulfanylbenzamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-sulfanylbenzamide is COc1ccc(CCNC(=O)c2ccccc2S)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-sulfanylbenzamide?
The InChIKey is KCADINFBWNNSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-19-13-8-6-12(7-9-13)10-11-17-16(18)14-4-2-3-5-15(14)20/h2-9,20H,10-11H2,1H3,(H,17,18).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-sulfanylbenzamide?
N-[2-(4-methoxyphenyl)ethyl]-2-sulfanylbenzamide has a molecular weight of 287.38 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-sulfanylbenzamide is sourced from PubChem (CID 103601610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).