5-(2,3-dihydroindol-1-yl)-N-propylthiophene-2-carboxamide

C16H18N2OS — CID 20940563

IUPAC5-(2,3-dihydroindol-1-yl)-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1ccc(N2CCc3ccccc32)s1
InChIInChI=1S/C16H18N2OS/c1-2-10-17-16(19)14-7-8-15(20-14)18-11-9-12-5-3-4-6-13(12)18/h3-8H,2,9-11H2,1H3,(H,17,19)
InChIKeyKHAUYLOLWULIBQ-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.58
Rot. Bonds4

About 5-(2,3-dihydroindol-1-yl)-N-propylthiophene-2-carboxamide

5-(2,3-dihydroindol-1-yl)-N-propylthiophene-2-carboxamide (PubChem CID 20940563) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 5-(2,3-dihydroindol-1-yl)-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(2,3-dihydroindol-1-yl)-N-propylthiophene-2-carboxamide
PubChem CID20940563
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name5-(2,3-dihydroindol-1-yl)-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1ccc(N2CCc3ccccc32)s1
InChIInChI=1S/C16H18N2OS/c1-2-10-17-16(19)14-7-8-15(20-14)18-11-9-12-5-3-4-6-13(12)18/h3-8H,2,9-11H2,1H3,(H,17,19)
InChIKeyKHAUYLOLWULIBQ-UHFFFAOYSA-N
XLogP3.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,3-dihydroindol-1-yl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
CID 20940588
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-(4-methylcyclohexyl)thiophene-2-carboxamide
CID 20940573
5-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-ethoxyphenyl)ethyl]thiophene-2-carboxamide
CID 20940539
5-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2,3-dimethoxyphenyl)methyl]thiophene-2-carboxamide
CID 20940535
N-butyl-5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)thiophene-2-carboxamide
CID 20951584
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-(3,4-dihydro-2H-quinolin-1-yl)thiophene-2-carboxamide
CID 20940525
5-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(3-methoxypropyl)thiophene-2-carboxamide
CID 20947629
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-propylthiophene-2-carboxamide
CID 6503799
6-(3,4-dihydro-2H-quinolin-1-yl)-N-propylpyrimidine-4-carboxamide
CID 109338531
2-(2,3-dihydroindol-1-yl)-N-pentylpyrimidine-4-carboxamide
CID 109312097

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydroindol-1-yl)-N-propylthiophene-2-carboxamide?
The IUPAC name of 5-(2,3-dihydroindol-1-yl)-N-propylthiophene-2-carboxamide (CID 20940563) is 5-(2,3-dihydroindol-1-yl)-N-propylthiophene-2-carboxamide.
What is the SMILES notation for 5-(2,3-dihydroindol-1-yl)-N-propylthiophene-2-carboxamide?
The canonical SMILES for 5-(2,3-dihydroindol-1-yl)-N-propylthiophene-2-carboxamide is CCCNC(=O)c1ccc(N2CCc3ccccc32)s1.
What is the InChIKey of 5-(2,3-dihydroindol-1-yl)-N-propylthiophene-2-carboxamide?
The InChIKey is KHAUYLOLWULIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-2-10-17-16(19)14-7-8-15(20-14)18-11-9-12-5-3-4-6-13(12)18/h3-8H,2,9-11H2,1H3,(H,17,19).
What are the key properties of 5-(2,3-dihydroindol-1-yl)-N-propylthiophene-2-carboxamide?
5-(2,3-dihydroindol-1-yl)-N-propylthiophene-2-carboxamide has a molecular weight of 286.40 g/mol, XLogP of 3.58, 4 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-propylthiophene-2-carboxamide is sourced from PubChem (CID 20940563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).