N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-indole-6-carboxamide

C17H16N2OS — CID 63770554

IUPACN-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-indole-6-carboxamide
SMILESO=C(NC1CCCc2sccc21)c1ccc2cc[nH]c2c1
InChIInChI=1S/C17H16N2OS/c20-17(12-5-4-11-6-8-18-15(11)10-12)19-14-2-1-3-16-13(14)7-9-21-16/h4-10,14,18H,1-3H2,(H,19,20)
InChIKeyQAHHWBAEDGQTNS-UHFFFAOYSA-N
MW296.39 g/mol
LogP4.04
Rot. Bonds2

About N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-indole-6-carboxamide

N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-indole-6-carboxamide (PubChem CID 63770554) has the molecular formula C17H16N2OS and a molecular weight of 296.39 g/mol. Its IUPAC name is N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-indole-6-carboxamide
PubChem CID63770554
Molecular FormulaC17H16N2OS
Molecular Weight296.39 g/mol
Exact Mass296.10
IUPAC NameN-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-indole-6-carboxamide
SMILESO=C(NC1CCCc2sccc21)c1ccc2cc[nH]c2c1
InChIInChI=1S/C17H16N2OS/c20-17(12-5-4-11-6-8-18-15(11)10-12)19-14-2-1-3-16-13(14)7-9-21-16/h4-10,14,18H,1-3H2,(H,19,20)
InChIKeyQAHHWBAEDGQTNS-UHFFFAOYSA-N
XLogP4.04
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-indole-6-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-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-indole-6-carboxamide
CID 39705283
4-bromo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 62844058
3-bromo-4-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 81472327
4-fluoro-3-sulfanyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 107028709
3-amino-4-bromo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 62841982
4-(bromomethyl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 102851620
2-bromo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-4-carboxamide
CID 113462580
N-[(3R)-2-oxoazepan-3-yl]-1H-indole-6-carboxamide
CID 6713907
N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thiophene-2-carboxamide
CID 64593278
N-cyclohexyl-1H-indole-6-carboxamide
CID 39706974
4-amino-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-pyrrole-2-carboxamide
CID 62840417
2-hydroxy-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 55126711

Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-indole-6-carboxamide?
The IUPAC name of N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-indole-6-carboxamide (CID 63770554) is N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-indole-6-carboxamide.
What is the SMILES notation for N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-indole-6-carboxamide?
The canonical SMILES for N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-indole-6-carboxamide is O=C(NC1CCCc2sccc21)c1ccc2cc[nH]c2c1.
What is the InChIKey of N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-indole-6-carboxamide?
The InChIKey is QAHHWBAEDGQTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c20-17(12-5-4-11-6-8-18-15(11)10-12)19-14-2-1-3-16-13(14)7-9-21-16/h4-10,14,18H,1-3H2,(H,19,20).
What are the key properties of N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-indole-6-carboxamide?
N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-indole-6-carboxamide has a molecular weight of 296.39 g/mol, XLogP of 4.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-indole-6-carboxamide is sourced from PubChem (CID 63770554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).