N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1H-indole-5-carboxamide

C17H16N2OS — CID 63718466

IUPACN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1H-indole-5-carboxamide
SMILESO=C(NCc1cc2c(s1)CCC2)c1ccc2[nH]ccc2c1
InChIInChI=1S/C17H16N2OS/c20-17(13-4-5-15-11(8-13)6-7-18-15)19-10-14-9-12-2-1-3-16(12)21-14/h4-9,18H,1-3,10H2,(H,19,20)
InChIKeyNQMLFHFNNRKITK-UHFFFAOYSA-N
MW296.39 g/mol
LogP3.65
Rot. Bonds3

About N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1H-indole-5-carboxamide

N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1H-indole-5-carboxamide (PubChem CID 63718466) has the molecular formula C17H16N2OS and a molecular weight of 296.39 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1H-indole-5-carboxamide
PubChem CID63718466
Molecular FormulaC17H16N2OS
Molecular Weight296.39 g/mol
Exact Mass296.10
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1H-indole-5-carboxamide
SMILESO=C(NCc1cc2c(s1)CCC2)c1ccc2[nH]ccc2c1
InChIInChI=1S/C17H16N2OS/c20-17(13-4-5-15-11(8-13)6-7-18-15)19-10-14-9-12-2-1-3-16(12)21-14/h4-9,18H,1-3,10H2,(H,19,20)
InChIKeyNQMLFHFNNRKITK-UHFFFAOYSA-N
XLogP3.65
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide
CID 61208774
6-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 61215827
4-amino-3,5-dichloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide
CID 82812054
4-[(1H-indole-5-carbonylamino)methyl]benzoic acid
CID 141342691
N-[(3-fluorophenyl)methyl]-1H-indole-5-carboxamide
CID 63716942
2-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide
CID 61207570
N-(pyridin-2-ylmethyl)-1H-indole-5-carboxamide
CID 63716738
N-(2-amino-2-methylpropyl)-1H-indole-5-carboxamide
CID 113282701
N-prop-2-ynyl-1H-indole-5-carboxamide
CID 63717307
2,4-dibromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide
CID 107952210
2-[2-(aminomethyl)phenyl]-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)acetamide
CID 81312193
N-(oxolan-2-ylmethyl)-1H-indole-5-carboxamide
CID 63717299

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1H-indole-5-carboxamide?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1H-indole-5-carboxamide (CID 63718466) is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1H-indole-5-carboxamide.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1H-indole-5-carboxamide?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1H-indole-5-carboxamide is O=C(NCc1cc2c(s1)CCC2)c1ccc2[nH]ccc2c1.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1H-indole-5-carboxamide?
The InChIKey is NQMLFHFNNRKITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c20-17(13-4-5-15-11(8-13)6-7-18-15)19-10-14-9-12-2-1-3-16(12)21-14/h4-9,18H,1-3,10H2,(H,19,20).
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1H-indole-5-carboxamide?
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1H-indole-5-carboxamide has a molecular weight of 296.39 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1H-indole-5-carboxamide is sourced from PubChem (CID 63718466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).