N-(4-aminocyclohexyl)-2-phenylsulfanylbenzamide;hydrochloride

C19H23ClN2OS — CID 119478534

IUPACN-(4-aminocyclohexyl)-2-phenylsulfanylbenzamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)c2ccccc2Sc2ccccc2)CC1
InChIInChI=1S/C19H22N2OS.ClH/c20-14-10-12-15(13-11-14)21-19(22)17-8-4-5-9-18(17)23-16-6-2-1-3-7-16;/h1-9,14-15H,10-13,20H2,(H,21,22);1H
InChIKeyBZVSNABXYPXCGI-UHFFFAOYSA-N
MW362.93 g/mol
LogP4.26
Rot. Bonds4

About N-(4-aminocyclohexyl)-2-phenylsulfanylbenzamide;hydrochloride

N-(4-aminocyclohexyl)-2-phenylsulfanylbenzamide;hydrochloride (PubChem CID 119478534) has the molecular formula C19H23ClN2OS and a molecular weight of 362.93 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-phenylsulfanylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-phenylsulfanylbenzamide;hydrochloride
PubChem CID119478534
Molecular FormulaC19H23ClN2OS
Molecular Weight362.93 g/mol
Exact Mass362.12
IUPAC NameN-(4-aminocyclohexyl)-2-phenylsulfanylbenzamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)c2ccccc2Sc2ccccc2)CC1
InChIInChI=1S/C19H22N2OS.ClH/c20-14-10-12-15(13-11-14)21-19(22)17-8-4-5-9-18(17)23-16-6-2-1-3-7-16;/h1-9,14-15H,10-13,20H2,(H,21,22);1H
InChIKeyBZVSNABXYPXCGI-UHFFFAOYSA-N
XLogP4.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.93
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(4-aminocyclohexyl)-2-methylbenzamide
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N-cyclopropyl-2-[(3-iodo-2H-indazol-6-yl)sulfanyl]benzamide
CID 175999626
2-(4-aminopiperidin-1-yl)-N-cyclopropylbenzamide
CID 42656462
cis-(1R,3S)-3-[(4-methyl-2-phenylsulfanylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120678923
N-(4-aminocyclohexyl)-2-prop-2-enoxybenzamide;hydrochloride
CID 119478882
N-(4-aminocyclohexyl)-5-phenyl-1H-pyrazole-4-carboxamide;hydrochloride
CID 119475103
N-cyclopropyl-2-methylbenzamide;hydrochloride
CID 162767207
2-amino-N-(4-aminocyclohexyl)-2-phenylacetamide
CID 62320729
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CID 119477727

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-phenylsulfanylbenzamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-2-phenylsulfanylbenzamide;hydrochloride (CID 119478534) is N-(4-aminocyclohexyl)-2-phenylsulfanylbenzamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-phenylsulfanylbenzamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-2-phenylsulfanylbenzamide;hydrochloride is Cl.NC1CCC(NC(=O)c2ccccc2Sc2ccccc2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-2-phenylsulfanylbenzamide;hydrochloride?
The InChIKey is BZVSNABXYPXCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS.ClH/c20-14-10-12-15(13-11-14)21-19(22)17-8-4-5-9-18(17)23-16-6-2-1-3-7-16;/h1-9,14-15H,10-13,20H2,(H,21,22);1H.
What are the key properties of N-(4-aminocyclohexyl)-2-phenylsulfanylbenzamide;hydrochloride?
N-(4-aminocyclohexyl)-2-phenylsulfanylbenzamide;hydrochloride has a molecular weight of 362.93 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-phenylsulfanylbenzamide;hydrochloride is sourced from PubChem (CID 119478534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).