4-amino-N-ethyl-3-(3-methylphenyl)sulfanylbenzamide

C16H18N2OS — CID 63358524

IUPAC4-amino-N-ethyl-3-(3-methylphenyl)sulfanylbenzamide
SMILESCCNC(=O)c1ccc(N)c(Sc2cccc(C)c2)c1
InChIInChI=1S/C16H18N2OS/c1-3-18-16(19)12-7-8-14(17)15(10-12)20-13-6-4-5-11(2)9-13/h4-10H,3,17H2,1-2H3,(H,18,19)
InChIKeyIFLRLWDLEORKPW-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.48
Rot. Bonds4

About 4-amino-N-ethyl-3-(3-methylphenyl)sulfanylbenzamide

4-amino-N-ethyl-3-(3-methylphenyl)sulfanylbenzamide (PubChem CID 63358524) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 4-amino-N-ethyl-3-(3-methylphenyl)sulfanylbenzamide.

Molecular Properties

Compound Name4-amino-N-ethyl-3-(3-methylphenyl)sulfanylbenzamide
PubChem CID63358524
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name4-amino-N-ethyl-3-(3-methylphenyl)sulfanylbenzamide
SMILESCCNC(=O)c1ccc(N)c(Sc2cccc(C)c2)c1
InChIInChI=1S/C16H18N2OS/c1-3-18-16(19)12-7-8-14(17)15(10-12)20-13-6-4-5-11(2)9-13/h4-10H,3,17H2,1-2H3,(H,18,19)
InChIKeyIFLRLWDLEORKPW-UHFFFAOYSA-N
XLogP3.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-ethyl-4-(3-methylphenyl)sulfanylbenzamide
CID 83000084
4-amino-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylbenzamide
CID 106921684
4-amino-N-ethyl-3-(2-methoxyethylsulfanyl)benzamide
CID 55190903
4-amino-N-ethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]benzamide
CID 104602752
4-amino-N-ethyl-3-(2-methylsulfonylethylsulfanyl)benzamide
CID 63658099
4-amino-3-(2,3-dihydroxypropylsulfanyl)-N-ethylbenzamide
CID 79682265
4-amino-N-ethyl-3-(3-methylsulfanylanilino)benzamide
CID 63360686
4-amino-3-[(4-chlorophenyl)methylsulfanyl]-N-ethylbenzamide
CID 114790171
ethane;N-ethyl-3-methylbenzamide;1-fluoro-3-methylbenzene
CID 142892736
3-amino-N-ethyl-4-ethylsulfanylbenzamide
CID 83000148
4-amino-N-ethyl-3-(2-methylsulfanylanilino)benzamide
CID 107643460
4-amino-N-ethyl-3-[methyl(2-methylpropyl)amino]benzamide
CID 63360740

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3-(3-methylphenyl)sulfanylbenzamide?
The IUPAC name of 4-amino-N-ethyl-3-(3-methylphenyl)sulfanylbenzamide (CID 63358524) is 4-amino-N-ethyl-3-(3-methylphenyl)sulfanylbenzamide.
What is the SMILES notation for 4-amino-N-ethyl-3-(3-methylphenyl)sulfanylbenzamide?
The canonical SMILES for 4-amino-N-ethyl-3-(3-methylphenyl)sulfanylbenzamide is CCNC(=O)c1ccc(N)c(Sc2cccc(C)c2)c1.
What is the InChIKey of 4-amino-N-ethyl-3-(3-methylphenyl)sulfanylbenzamide?
The InChIKey is IFLRLWDLEORKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-3-18-16(19)12-7-8-14(17)15(10-12)20-13-6-4-5-11(2)9-13/h4-10H,3,17H2,1-2H3,(H,18,19).
What are the key properties of 4-amino-N-ethyl-3-(3-methylphenyl)sulfanylbenzamide?
4-amino-N-ethyl-3-(3-methylphenyl)sulfanylbenzamide has a molecular weight of 286.40 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-3-(3-methylphenyl)sulfanylbenzamide is sourced from PubChem (CID 63358524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).