N-cycloheptyl-5-indol-1-ylthiophene-2-carboxamide

C20H22N2OS — CID 20940648

IUPACN-cycloheptyl-5-indol-1-ylthiophene-2-carboxamide
SMILESO=C(NC1CCCCCC1)c1ccc(-n2ccc3ccccc32)s1
InChIInChI=1S/C20H22N2OS/c23-20(21-16-8-3-1-2-4-9-16)18-11-12-19(24-18)22-14-13-15-7-5-6-10-17(15)22/h5-7,10-14,16H,1-4,8-9H2,(H,21,23)
InChIKeyKDBVCANSPKGSTJ-UHFFFAOYSA-N
MW338.48 g/mol
LogP5.14
Rot. Bonds3

About N-cycloheptyl-5-indol-1-ylthiophene-2-carboxamide

N-cycloheptyl-5-indol-1-ylthiophene-2-carboxamide (PubChem CID 20940648) has the molecular formula C20H22N2OS and a molecular weight of 338.48 g/mol. Its IUPAC name is N-cycloheptyl-5-indol-1-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-5-indol-1-ylthiophene-2-carboxamide
PubChem CID20940648
Molecular FormulaC20H22N2OS
Molecular Weight338.48 g/mol
Exact Mass338.15
IUPAC NameN-cycloheptyl-5-indol-1-ylthiophene-2-carboxamide
SMILESO=C(NC1CCCCCC1)c1ccc(-n2ccc3ccccc32)s1
InChIInChI=1S/C20H22N2OS/c23-20(21-16-8-3-1-2-4-9-16)18-11-12-19(24-18)22-14-13-15-7-5-6-10-17(15)22/h5-7,10-14,16H,1-4,8-9H2,(H,21,23)
InChIKeyKDBVCANSPKGSTJ-UHFFFAOYSA-N
XLogP5.14
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.48
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-1-(5-indol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide
CID 20940825
N-cyclopentylindole-1-carboxamide
CID 141083697
N-cyclopentyl-5-(2,3-dihydro-1,4-benzoxazin-4-yl)thiophene-2-carboxamide
CID 20947617
N-cyclohexyl-5-(1-ethylbenzimidazol-2-yl)thiophene-2-carboxamide
CID 4731876
N-cyclopropyl-5-(4-methoxy-2-methylbenzimidazol-1-yl)thiophene-2-carboxamide
CID 70687452
N-cyclohexyl-1-oxoisothiochromene-3-carboxamide
CID 20896749
N-cyclooctyl-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 46326113
1-cyclohexyl-3-[2-(3-indol-1-yl-6-oxopyridazin-1-yl)ethyl]urea
CID 71805315
3-N-cyclohexyl-1-N-cyclopentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068157
4-(cyclohexylcarbamoylamino)-N-(3-indol-1-ylpropyl)butanamide
CID 16614939
N-cycloheptyl-5-(10-methoxy-6H-pyrido[2,3-b][1,4]benzoxazepin-5-yl)thiophene-2-carboxamide
CID 20940382
N-cyclopropyl-5-(5,6-difluoro-2-methylbenzimidazol-1-yl)thiophene-2-carboxamide
CID 58284877

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-5-indol-1-ylthiophene-2-carboxamide?
The IUPAC name of N-cycloheptyl-5-indol-1-ylthiophene-2-carboxamide (CID 20940648) is N-cycloheptyl-5-indol-1-ylthiophene-2-carboxamide.
What is the SMILES notation for N-cycloheptyl-5-indol-1-ylthiophene-2-carboxamide?
The canonical SMILES for N-cycloheptyl-5-indol-1-ylthiophene-2-carboxamide is O=C(NC1CCCCCC1)c1ccc(-n2ccc3ccccc32)s1.
What is the InChIKey of N-cycloheptyl-5-indol-1-ylthiophene-2-carboxamide?
The InChIKey is KDBVCANSPKGSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2OS/c23-20(21-16-8-3-1-2-4-9-16)18-11-12-19(24-18)22-14-13-15-7-5-6-10-17(15)22/h5-7,10-14,16H,1-4,8-9H2,(H,21,23).
What are the key properties of N-cycloheptyl-5-indol-1-ylthiophene-2-carboxamide?
N-cycloheptyl-5-indol-1-ylthiophene-2-carboxamide has a molecular weight of 338.48 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-5-indol-1-ylthiophene-2-carboxamide is sourced from PubChem (CID 20940648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).