4-amino-N-ethyl-3-(2-methylsulfanylanilino)benzamide

C16H19N3OS — CID 107643460

IUPAC4-amino-N-ethyl-3-(2-methylsulfanylanilino)benzamide
SMILESCCNC(=O)c1ccc(N)c(Nc2ccccc2SC)c1
InChIInChI=1S/C16H19N3OS/c1-3-18-16(20)11-8-9-12(17)14(10-11)19-13-6-4-5-7-15(13)21-2/h4-10,19H,3,17H2,1-2H3,(H,18,20)
InChIKeyOFHQNAFJSZFOCG-UHFFFAOYSA-N
MW301.42 g/mol
LogP3.48
Rot. Bonds5

About 4-amino-N-ethyl-3-(2-methylsulfanylanilino)benzamide

4-amino-N-ethyl-3-(2-methylsulfanylanilino)benzamide (PubChem CID 107643460) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 4-amino-N-ethyl-3-(2-methylsulfanylanilino)benzamide.

Molecular Properties

Compound Name4-amino-N-ethyl-3-(2-methylsulfanylanilino)benzamide
PubChem CID107643460
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name4-amino-N-ethyl-3-(2-methylsulfanylanilino)benzamide
SMILESCCNC(=O)c1ccc(N)c(Nc2ccccc2SC)c1
InChIInChI=1S/C16H19N3OS/c1-3-18-16(20)11-8-9-12(17)14(10-11)19-13-6-4-5-7-15(13)21-2/h4-10,19H,3,17H2,1-2H3,(H,18,20)
InChIKeyOFHQNAFJSZFOCG-UHFFFAOYSA-N
XLogP3.48
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-anilino-N-ethylbenzamide
CID 55188757
ethyl 4-amino-3-(2-methylsulfanylanilino)benzoate
CID 107645829
4-amino-N-ethyl-3-(3-methylsulfanylanilino)benzamide
CID 63360686
4-amino-3-(3-chloro-2-methylanilino)-N-ethylbenzamide
CID 63360778
4-amino-3-(3,5-difluoroanilino)-N-ethylbenzamide
CID 63361087
4-amino-3-(2-chloro-5-fluoroanilino)-N-ethylbenzamide
CID 107526839
4-amino-3-(2-bromo-5-fluoroanilino)-N-ethylbenzamide
CID 107634456
4-amino-3-(5-bromo-2-fluoroanilino)-N-ethylbenzamide
CID 63360656
4-amino-N-ethyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]benzamide
CID 63981201
3-amino-4-anilino-N-ethylbenzamide
CID 82999542
4-amino-N-ethyl-3-(4-methylpentan-2-ylamino)benzamide
CID 55189478
4-amino-N-ethyl-3-(2-methylpentan-3-ylamino)benzamide
CID 63361065

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3-(2-methylsulfanylanilino)benzamide?
The IUPAC name of 4-amino-N-ethyl-3-(2-methylsulfanylanilino)benzamide (CID 107643460) is 4-amino-N-ethyl-3-(2-methylsulfanylanilino)benzamide.
What is the SMILES notation for 4-amino-N-ethyl-3-(2-methylsulfanylanilino)benzamide?
The canonical SMILES for 4-amino-N-ethyl-3-(2-methylsulfanylanilino)benzamide is CCNC(=O)c1ccc(N)c(Nc2ccccc2SC)c1.
What is the InChIKey of 4-amino-N-ethyl-3-(2-methylsulfanylanilino)benzamide?
The InChIKey is OFHQNAFJSZFOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-3-18-16(20)11-8-9-12(17)14(10-11)19-13-6-4-5-7-15(13)21-2/h4-10,19H,3,17H2,1-2H3,(H,18,20).
What are the key properties of 4-amino-N-ethyl-3-(2-methylsulfanylanilino)benzamide?
4-amino-N-ethyl-3-(2-methylsulfanylanilino)benzamide has a molecular weight of 301.42 g/mol, XLogP of 3.48, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-3-(2-methylsulfanylanilino)benzamide is sourced from PubChem (CID 107643460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).