N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-chlorobenzamide

C15H19ClN2OS — CID 61123998

IUPACN-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-chlorobenzamide
SMILESNC(=S)C(NC(=O)c1ccccc1Cl)C1CCCCC1
InChIInChI=1S/C15H19ClN2OS/c16-12-9-5-4-8-11(12)15(19)18-13(14(17)20)10-6-2-1-3-7-10/h4-5,8-10,13H,1-3,6-7H2,(H2,17,20)(H,18,19)
InChIKeyRDSKPSRBUMVHOL-UHFFFAOYSA-N
MW310.85 g/mol
LogP3.30
Rot. Bonds4

About N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-chlorobenzamide

N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-chlorobenzamide (PubChem CID 61123998) has the molecular formula C15H19ClN2OS and a molecular weight of 310.85 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-chlorobenzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-chlorobenzamide
PubChem CID61123998
Molecular FormulaC15H19ClN2OS
Molecular Weight310.85 g/mol
Exact Mass310.09
IUPAC NameN-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-chlorobenzamide
SMILESNC(=S)C(NC(=O)c1ccccc1Cl)C1CCCCC1
InChIInChI=1S/C15H19ClN2OS/c16-12-9-5-4-8-11(12)15(19)18-13(14(17)20)10-6-2-1-3-7-10/h4-5,8-10,13H,1-3,6-7H2,(H2,17,20)(H,18,19)
InChIKeyRDSKPSRBUMVHOL-UHFFFAOYSA-N
XLogP3.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.85
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-(2-chlorophenyl)acetamide
CID 61122791
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-4-chloro-2-hydroxybenzamide
CID 61122009
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-bromo-3-fluorobenzamide
CID 81499388
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-hydroxy-3-methylbenzamide
CID 61122011
N-(2-amino-1-cyclohexylethyl)-2-chlorobenzamide
CID 81487183
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-methoxypyridine-3-carboxamide
CID 62874305
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2,5-dimethylbenzamide
CID 61122787
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-hydroxy-4-methylbenzamide
CID 61122205
phenyl N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)carbamate
CID 61124032
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-bromobenzamide
CID 61124988
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)pyridine-3-carboxamide
CID 61123796
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-6-methylpyridine-2-carboxamide
CID 61123788

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-chlorobenzamide?
The IUPAC name of N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-chlorobenzamide (CID 61123998) is N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-chlorobenzamide.
What is the SMILES notation for N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-chlorobenzamide?
The canonical SMILES for N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-chlorobenzamide is NC(=S)C(NC(=O)c1ccccc1Cl)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-chlorobenzamide?
The InChIKey is RDSKPSRBUMVHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2OS/c16-12-9-5-4-8-11(12)15(19)18-13(14(17)20)10-6-2-1-3-7-10/h4-5,8-10,13H,1-3,6-7H2,(H2,17,20)(H,18,19).
What are the key properties of N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-chlorobenzamide?
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-chlorobenzamide has a molecular weight of 310.85 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-chlorobenzamide is sourced from PubChem (CID 61123998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).