N-(1H-indol-4-yl)-2-thiophen-2-ylpyrrolidine-1-carboxamide

C17H17N3OS — CID 56825846

IUPACN-(1H-indol-4-yl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc2[nH]ccc12)N1CCCC1c1cccs1
InChIInChI=1S/C17H17N3OS/c21-17(19-14-5-1-4-13-12(14)8-9-18-13)20-10-2-6-15(20)16-7-3-11-22-16/h1,3-5,7-9,11,15,18H,2,6,10H2,(H,19,21)
InChIKeyOPDOYNZGAJXLRF-UHFFFAOYSA-N
MW311.41 g/mol
LogP4.60
Rot. Bonds2

About N-(1H-indol-4-yl)-2-thiophen-2-ylpyrrolidine-1-carboxamide

N-(1H-indol-4-yl)-2-thiophen-2-ylpyrrolidine-1-carboxamide (PubChem CID 56825846) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is N-(1H-indol-4-yl)-2-thiophen-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(1H-indol-4-yl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
PubChem CID56825846
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC NameN-(1H-indol-4-yl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc2[nH]ccc12)N1CCCC1c1cccs1
InChIInChI=1S/C17H17N3OS/c21-17(19-14-5-1-4-13-12(14)8-9-18-13)20-10-2-6-15(20)16-7-3-11-22-16/h1,3-5,7-9,11,15,18H,2,6,10H2,(H,19,21)
InChIKeyOPDOYNZGAJXLRF-UHFFFAOYSA-N
XLogP4.60
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1H-indol-4-yl-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 60958650
(2S)-N-(2-ethylphenyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 92503165
(2S)-N-(2-chloro-4-methylphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 92500015
(2R)-N-(2-ethoxyphenyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 92503136
N-(4-methylphenyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 22586874
(2R)-N-(2-chloro-4-methylphenyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 92503100
N-(4-bromo-2-fluorophenyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 22586894
3-[(2-thiophen-2-ylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 122019481
(2S)-N-(2,4-dimethoxyphenyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 92503207
(2S)-N-[3-(azepan-1-yl)-3-oxopropyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 97012952
N-(3,5-dimethoxyphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 20895956
N-(3-nitrophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 24626868

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-4-yl)-2-thiophen-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of N-(1H-indol-4-yl)-2-thiophen-2-ylpyrrolidine-1-carboxamide (CID 56825846) is N-(1H-indol-4-yl)-2-thiophen-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-(1H-indol-4-yl)-2-thiophen-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for N-(1H-indol-4-yl)-2-thiophen-2-ylpyrrolidine-1-carboxamide is O=C(Nc1cccc2[nH]ccc12)N1CCCC1c1cccs1.
What is the InChIKey of N-(1H-indol-4-yl)-2-thiophen-2-ylpyrrolidine-1-carboxamide?
The InChIKey is OPDOYNZGAJXLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c21-17(19-14-5-1-4-13-12(14)8-9-18-13)20-10-2-6-15(20)16-7-3-11-22-16/h1,3-5,7-9,11,15,18H,2,6,10H2,(H,19,21).
What are the key properties of N-(1H-indol-4-yl)-2-thiophen-2-ylpyrrolidine-1-carboxamide?
N-(1H-indol-4-yl)-2-thiophen-2-ylpyrrolidine-1-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 4.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-4-yl)-2-thiophen-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 56825846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).