N-(4-aminocyclohexyl)-2-chloro-5-methylsulfanylbenzamide

C14H19ClN2OS — CID 79114648

IUPACN-(4-aminocyclohexyl)-2-chloro-5-methylsulfanylbenzamide
SMILESCSc1ccc(Cl)c(C(=O)NC2CCC(N)CC2)c1
InChIInChI=1S/C14H19ClN2OS/c1-19-11-6-7-13(15)12(8-11)14(18)17-10-4-2-9(16)3-5-10/h6-10H,2-5,16H2,1H3,(H,17,18)
InChIKeyUVOZDLXSVHSBDT-UHFFFAOYSA-N
MW298.84 g/mol
LogP3.06
Rot. Bonds3

About N-(4-aminocyclohexyl)-2-chloro-5-methylsulfanylbenzamide

N-(4-aminocyclohexyl)-2-chloro-5-methylsulfanylbenzamide (PubChem CID 79114648) has the molecular formula C14H19ClN2OS and a molecular weight of 298.84 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-chloro-5-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-chloro-5-methylsulfanylbenzamide
PubChem CID79114648
Molecular FormulaC14H19ClN2OS
Molecular Weight298.84 g/mol
Exact Mass298.09
IUPAC NameN-(4-aminocyclohexyl)-2-chloro-5-methylsulfanylbenzamide
SMILESCSc1ccc(Cl)c(C(=O)NC2CCC(N)CC2)c1
InChIInChI=1S/C14H19ClN2OS/c1-19-11-6-7-13(15)12(8-11)14(18)17-10-4-2-9(16)3-5-10/h6-10H,2-5,16H2,1H3,(H,17,18)
InChIKeyUVOZDLXSVHSBDT-UHFFFAOYSA-N
XLogP3.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(2-methylpiperidin-4-yl)-5-methylsulfanylbenzamide
CID 106995122
N-(4-aminocyclohexyl)-4-chloro-2-fluorobenzamide
CID 62313125
2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide
CID 2165949
2-chloro-N-[2-(cycloheptylamino)ethyl]-5-methylsulfanylbenzamide;hydrochloride
CID 119620649
5-amino-2-chloro-N-(4-methylcyclohexyl)benzamide
CID 16796108
2-chloro-N-[(3-chlorocyclopentyl)methyl]-5-methylsulfanylbenzamide
CID 114146880
(2R)-1-(2-chloro-5-methylsulfanylbenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 94061700
(2S)-1-(2-chloro-5-methylsulfanylbenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 94061701
N-(4-methylcyclohexyl)-5-methylsulfanyl-2-nitrobenzamide
CID 27020308
2-chloro-5-methylsulfanyl-N-propan-2-ylbenzamide
CID 4806698
N-(4-aminocyclohexyl)-2,6-dichlorobenzamide
CID 62313124
N-(2-bromoethyl)-2-chloro-5-methylsulfanylbenzamide
CID 114307468

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-chloro-5-methylsulfanylbenzamide?
The IUPAC name of N-(4-aminocyclohexyl)-2-chloro-5-methylsulfanylbenzamide (CID 79114648) is N-(4-aminocyclohexyl)-2-chloro-5-methylsulfanylbenzamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-chloro-5-methylsulfanylbenzamide?
The canonical SMILES for N-(4-aminocyclohexyl)-2-chloro-5-methylsulfanylbenzamide is CSc1ccc(Cl)c(C(=O)NC2CCC(N)CC2)c1.
What is the InChIKey of N-(4-aminocyclohexyl)-2-chloro-5-methylsulfanylbenzamide?
The InChIKey is UVOZDLXSVHSBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2OS/c1-19-11-6-7-13(15)12(8-11)14(18)17-10-4-2-9(16)3-5-10/h6-10H,2-5,16H2,1H3,(H,17,18).
What are the key properties of N-(4-aminocyclohexyl)-2-chloro-5-methylsulfanylbenzamide?
N-(4-aminocyclohexyl)-2-chloro-5-methylsulfanylbenzamide has a molecular weight of 298.84 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-chloro-5-methylsulfanylbenzamide is sourced from PubChem (CID 79114648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).