2-(2-aminophenyl)sulfanyl-N-cyclopentyl-N-methylbenzamide

C19H22N2OS — CID 166391273

IUPAC2-(2-aminophenyl)sulfanyl-N-cyclopentyl-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1Sc1ccccc1N)C1CCCC1
InChIInChI=1S/C19H22N2OS/c1-21(14-8-2-3-9-14)19(22)15-10-4-6-12-17(15)23-18-13-7-5-11-16(18)20/h4-7,10-14H,2-3,8-9,20H2,1H3
InChIKeyBUKPOCAMIPXRHY-UHFFFAOYSA-N
MW326.47 g/mol
LogP4.43
Rot. Bonds4

About 2-(2-aminophenyl)sulfanyl-N-cyclopentyl-N-methylbenzamide

2-(2-aminophenyl)sulfanyl-N-cyclopentyl-N-methylbenzamide (PubChem CID 166391273) has the molecular formula C19H22N2OS and a molecular weight of 326.47 g/mol. Its IUPAC name is 2-(2-aminophenyl)sulfanyl-N-cyclopentyl-N-methylbenzamide.

Molecular Properties

Compound Name2-(2-aminophenyl)sulfanyl-N-cyclopentyl-N-methylbenzamide
PubChem CID166391273
Molecular FormulaC19H22N2OS
Molecular Weight326.47 g/mol
Exact Mass326.15
IUPAC Name2-(2-aminophenyl)sulfanyl-N-cyclopentyl-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1Sc1ccccc1N)C1CCCC1
InChIInChI=1S/C19H22N2OS/c1-21(14-8-2-3-9-14)19(22)15-10-4-6-12-17(15)23-18-13-7-5-11-16(18)20/h4-7,10-14H,2-3,8-9,20H2,1H3
InChIKeyBUKPOCAMIPXRHY-UHFFFAOYSA-N
XLogP4.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-cyclobutyl-N-methylbenzamide
CID 115747527
3-amino-N-cyclohexyl-2-hydroxy-N-methylbenzamide
CID 58736495
N-cyclohexyl-2-[cyclopropyl(methyl)amino]-N-methylbenzamide
CID 174458205
2-amino-N-methyl-N-(oxan-4-yl)benzamide
CID 43610601
2-(3-aminoprop-1-ynyl)-N-cycloheptyl-N-methylbenzamide
CID 60821770
2-bromo-N-cycloheptyl-N-methylbenzamide
CID 43409214
2-[cyclohexyl(methyl)carbamoyl]benzoate
CID 2302400
[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[2-(2-aminophenyl)sulfanylphenyl]methanone
CID 166391271
N-cycloheptyl-N-methyl-2-(trifluoromethyl)benzamide
CID 55469731
2-amino-N-cyclopentyl-N,5-dimethylbenzamide
CID 62509333
N-methyl-N-[4-(methylamino)cyclohexyl]-2-methylsulfanylbenzamide
CID 79217283
2-amino-N-cyclohexyl-4-fluoro-N-methylbenzamide
CID 62072600

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)sulfanyl-N-cyclopentyl-N-methylbenzamide?
The IUPAC name of 2-(2-aminophenyl)sulfanyl-N-cyclopentyl-N-methylbenzamide (CID 166391273) is 2-(2-aminophenyl)sulfanyl-N-cyclopentyl-N-methylbenzamide.
What is the SMILES notation for 2-(2-aminophenyl)sulfanyl-N-cyclopentyl-N-methylbenzamide?
The canonical SMILES for 2-(2-aminophenyl)sulfanyl-N-cyclopentyl-N-methylbenzamide is CN(C(=O)c1ccccc1Sc1ccccc1N)C1CCCC1.
What is the InChIKey of 2-(2-aminophenyl)sulfanyl-N-cyclopentyl-N-methylbenzamide?
The InChIKey is BUKPOCAMIPXRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS/c1-21(14-8-2-3-9-14)19(22)15-10-4-6-12-17(15)23-18-13-7-5-11-16(18)20/h4-7,10-14H,2-3,8-9,20H2,1H3.
What are the key properties of 2-(2-aminophenyl)sulfanyl-N-cyclopentyl-N-methylbenzamide?
2-(2-aminophenyl)sulfanyl-N-cyclopentyl-N-methylbenzamide has a molecular weight of 326.47 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)sulfanyl-N-cyclopentyl-N-methylbenzamide is sourced from PubChem (CID 166391273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).