N-cyclohexyl-1-oxoisothiochromene-3-carboxamide

C16H17NO2S — CID 20896749

IUPACN-cyclohexyl-1-oxoisothiochromene-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cc2ccccc2c(=O)s1
InChIInChI=1S/C16H17NO2S/c18-15(17-12-7-2-1-3-8-12)14-10-11-6-4-5-9-13(11)16(19)20-14/h4-6,9-10,12H,1-3,7-8H2,(H,17,18)
InChIKeyYOAYWLRYEVCRJA-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.32
Rot. Bonds2

About N-cyclohexyl-1-oxoisothiochromene-3-carboxamide

N-cyclohexyl-1-oxoisothiochromene-3-carboxamide (PubChem CID 20896749) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-cyclohexyl-1-oxoisothiochromene-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-oxoisothiochromene-3-carboxamide
PubChem CID20896749
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC NameN-cyclohexyl-1-oxoisothiochromene-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cc2ccccc2c(=O)s1
InChIInChI=1S/C16H17NO2S/c18-15(17-12-7-2-1-3-8-12)14-10-11-6-4-5-9-13(11)16(19)20-14/h4-6,9-10,12H,1-3,7-8H2,(H,17,18)
InChIKeyYOAYWLRYEVCRJA-UHFFFAOYSA-N
XLogP3.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclohexyl-1-oxoisothiochromene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopentylthieno[3,2-b][1]benzothiole-2-carboxamide
CID 24502669
N-cyclooctyl-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 46326113
4-chloro-N-cyclopentylthieno[3,2-c]quinoline-2-carboxamide
CID 6622571
N-cyclopentyl-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 6622578
N-cycloheptyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 7996122
4,5-dibromo-N-cycloheptylthiophene-2-carboxamide
CID 9217766
N-cycloheptylcinnoline-3-carboxamide
CID 110705102
N-cycloheptyl-5-cyclopropylthieno[2,3-c]pyrrole-2-carboxamide
CID 53191498
N-(2-ethoxyphenyl)-1-oxoisothiochromene-3-carboxamide
CID 17015267
N-cycloheptyl-5-indol-1-ylthiophene-2-carboxamide
CID 20940648
5-bromo-N-cyclooctyl-4-methylthiophene-2-carboxamide
CID 79998727
N-cyclohexyl-2-oxo-1H-quinoline-3-carboxamide
CID 11011060

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-oxoisothiochromene-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-oxoisothiochromene-3-carboxamide (CID 20896749) is N-cyclohexyl-1-oxoisothiochromene-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-oxoisothiochromene-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-oxoisothiochromene-3-carboxamide is O=C(NC1CCCCC1)c1cc2ccccc2c(=O)s1.
What is the InChIKey of N-cyclohexyl-1-oxoisothiochromene-3-carboxamide?
The InChIKey is YOAYWLRYEVCRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c18-15(17-12-7-2-1-3-8-12)14-10-11-6-4-5-9-13(11)16(19)20-14/h4-6,9-10,12H,1-3,7-8H2,(H,17,18).
What are the key properties of N-cyclohexyl-1-oxoisothiochromene-3-carboxamide?
N-cyclohexyl-1-oxoisothiochromene-3-carboxamide has a molecular weight of 287.38 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-oxoisothiochromene-3-carboxamide is sourced from PubChem (CID 20896749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).