5-(2,3-dihydroindol-1-yl)-N-(4-methylcyclohexyl)thiophene-2-carboxamide

C20H24N2OS — CID 20940573

IUPAC5-(2,3-dihydroindol-1-yl)-N-(4-methylcyclohexyl)thiophene-2-carboxamide
SMILESCC1CCC(NC(=O)c2ccc(N3CCc4ccccc43)s2)CC1
InChIInChI=1S/C20H24N2OS/c1-14-6-8-16(9-7-14)21-20(23)18-10-11-19(24-18)22-13-12-15-4-2-3-5-17(15)22/h2-5,10-11,14,16H,6-9,12-13H2,1H3,(H,21,23)
InChIKeyBVQKBYAONCPREQ-UHFFFAOYSA-N
MW340.49 g/mol
LogP4.75
Rot. Bonds3

About 5-(2,3-dihydroindol-1-yl)-N-(4-methylcyclohexyl)thiophene-2-carboxamide

5-(2,3-dihydroindol-1-yl)-N-(4-methylcyclohexyl)thiophene-2-carboxamide (PubChem CID 20940573) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is 5-(2,3-dihydroindol-1-yl)-N-(4-methylcyclohexyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(2,3-dihydroindol-1-yl)-N-(4-methylcyclohexyl)thiophene-2-carboxamide
PubChem CID20940573
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC Name5-(2,3-dihydroindol-1-yl)-N-(4-methylcyclohexyl)thiophene-2-carboxamide
SMILESCC1CCC(NC(=O)c2ccc(N3CCc4ccccc43)s2)CC1
InChIInChI=1S/C20H24N2OS/c1-14-6-8-16(9-7-14)21-20(23)18-10-11-19(24-18)22-13-12-15-4-2-3-5-17(15)22/h2-5,10-11,14,16H,6-9,12-13H2,1H3,(H,21,23)
InChIKeyBVQKBYAONCPREQ-UHFFFAOYSA-N
XLogP4.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,3-dihydroindol-1-yl)-N-propylthiophene-2-carboxamide
CID 20940563
5-(2,3-dihydroindol-1-yl)-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide
CID 20940558
5-(2,3-dihydroindol-1-yl)-N-(3-ethoxypropyl)thiophene-2-carboxamide
CID 20940575
5-(2,3-dihydroindol-1-yl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
CID 20940588
N-cyclopentyl-5-(2,3-dihydro-1,4-benzoxazin-4-yl)thiophene-2-carboxamide
CID 20947617
N-cyclopropyl-2-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 84576404
N-(4-methylcyclohexyl)-5-nitrothiophene-2-carboxamide
CID 17403471
N-(1-benzylpiperidin-4-yl)-5-(2,3-dihydro-1,4-benzothiazin-4-yl)thiophene-2-carboxamide
CID 20944317
N-cyclopentyl-5-(2,3-dihydroindol-1-yl)pyrazine-2-carboxamide
CID 109273970
5-acetyl-N-cyclopropylthiophene-2-carboxamide
CID 9080124
N-cyclohexyl-5-(2,3-dihydroindol-1-yl)pyrazine-2-carboxamide
CID 109274719
N-cyclohexyl-6-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide
CID 84574195

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydroindol-1-yl)-N-(4-methylcyclohexyl)thiophene-2-carboxamide?
The IUPAC name of 5-(2,3-dihydroindol-1-yl)-N-(4-methylcyclohexyl)thiophene-2-carboxamide (CID 20940573) is 5-(2,3-dihydroindol-1-yl)-N-(4-methylcyclohexyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(2,3-dihydroindol-1-yl)-N-(4-methylcyclohexyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(2,3-dihydroindol-1-yl)-N-(4-methylcyclohexyl)thiophene-2-carboxamide is CC1CCC(NC(=O)c2ccc(N3CCc4ccccc43)s2)CC1.
What is the InChIKey of 5-(2,3-dihydroindol-1-yl)-N-(4-methylcyclohexyl)thiophene-2-carboxamide?
The InChIKey is BVQKBYAONCPREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2OS/c1-14-6-8-16(9-7-14)21-20(23)18-10-11-19(24-18)22-13-12-15-4-2-3-5-17(15)22/h2-5,10-11,14,16H,6-9,12-13H2,1H3,(H,21,23).
What are the key properties of 5-(2,3-dihydroindol-1-yl)-N-(4-methylcyclohexyl)thiophene-2-carboxamide?
5-(2,3-dihydroindol-1-yl)-N-(4-methylcyclohexyl)thiophene-2-carboxamide has a molecular weight of 340.49 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydroindol-1-yl)-N-(4-methylcyclohexyl)thiophene-2-carboxamide is sourced from PubChem (CID 20940573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).