5-amino-N-(1-thiophen-2-ylpropyl)-1H-indole-2-carboxamide

C16H17N3OS — CID 63118272

IUPAC5-amino-N-(1-thiophen-2-ylpropyl)-1H-indole-2-carboxamide
SMILESCCC(NC(=O)c1cc2cc(N)ccc2[nH]1)c1cccs1
InChIInChI=1S/C16H17N3OS/c1-2-12(15-4-3-7-21-15)19-16(20)14-9-10-8-11(17)5-6-13(10)18-14/h3-9,12,18H,2,17H2,1H3,(H,19,20)
InChIKeyQQCIYXDRQUBGGG-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.69
Rot. Bonds4

About 5-amino-N-(1-thiophen-2-ylpropyl)-1H-indole-2-carboxamide

5-amino-N-(1-thiophen-2-ylpropyl)-1H-indole-2-carboxamide (PubChem CID 63118272) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 5-amino-N-(1-thiophen-2-ylpropyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(1-thiophen-2-ylpropyl)-1H-indole-2-carboxamide
PubChem CID63118272
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name5-amino-N-(1-thiophen-2-ylpropyl)-1H-indole-2-carboxamide
SMILESCCC(NC(=O)c1cc2cc(N)ccc2[nH]1)c1cccs1
InChIInChI=1S/C16H17N3OS/c1-2-12(15-4-3-7-21-15)19-16(20)14-9-10-8-11(17)5-6-13(10)18-14/h3-9,12,18H,2,17H2,1H3,(H,19,20)
InChIKeyQQCIYXDRQUBGGG-UHFFFAOYSA-N
XLogP3.69
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(1-thiophen-2-ylpropyl)benzamide
CID 54964756
6-oxo-N-(1-thiophen-2-ylpropyl)-1H-pyridine-2-carboxamide
CID 107261861
N-(1-thiophen-2-ylpropyl)-1H-pyrrole-2-carboxamide
CID 56876010
5-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 103106426
5-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 63117766
5-amino-N-(3-methyl-1,2-oxazol-5-yl)-1H-indole-2-carboxamide
CID 63117740
2-amino-N-(1-thiophen-2-ylpropyl)pyridine-4-carboxamide
CID 62159520
5-amino-N-(1-pyridin-2-ylethyl)-1H-indole-2-carboxamide
CID 63117840
5-formyl-N-(1-phenylpropyl)-1H-indole-2-carboxamide
CID 144935975
5-amino-N-(2-methylsulfinylethyl)-1H-indole-2-carboxamide
CID 113479607
4-amino-5-methyl-N-(1-thiophen-2-ylpropyl)-1H-pyrazole-3-carboxamide
CID 55034284
1-(5-amino-1H-indol-2-yl)ethanone
CID 59837588

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1-thiophen-2-ylpropyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-amino-N-(1-thiophen-2-ylpropyl)-1H-indole-2-carboxamide (CID 63118272) is 5-amino-N-(1-thiophen-2-ylpropyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-amino-N-(1-thiophen-2-ylpropyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-amino-N-(1-thiophen-2-ylpropyl)-1H-indole-2-carboxamide is CCC(NC(=O)c1cc2cc(N)ccc2[nH]1)c1cccs1.
What is the InChIKey of 5-amino-N-(1-thiophen-2-ylpropyl)-1H-indole-2-carboxamide?
The InChIKey is QQCIYXDRQUBGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-2-12(15-4-3-7-21-15)19-16(20)14-9-10-8-11(17)5-6-13(10)18-14/h3-9,12,18H,2,17H2,1H3,(H,19,20).
What are the key properties of 5-amino-N-(1-thiophen-2-ylpropyl)-1H-indole-2-carboxamide?
5-amino-N-(1-thiophen-2-ylpropyl)-1H-indole-2-carboxamide has a molecular weight of 299.40 g/mol, XLogP of 3.69, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1-thiophen-2-ylpropyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 63118272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).