(2S)-N-(1H-indol-5-yl)-2-thiophen-3-ylpyrrolidine-1-carboxamide

C17H17N3OS — CID 94821135

IUPAC(2S)-N-(1H-indol-5-yl)-2-thiophen-3-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc2[nH]ccc2c1)N1CCC[C@H]1c1ccsc1
InChIInChI=1S/C17H17N3OS/c21-17(19-14-3-4-15-12(10-14)5-7-18-15)20-8-1-2-16(20)13-6-9-22-11-13/h3-7,9-11,16,18H,1-2,8H2,(H,19,21)/t16-/m0/s1
InChIKeyVRQKSLXZRGXQQB-INIZCTEOSA-N
MW311.41 g/mol
LogP4.60
Rot. Bonds2

About (2S)-N-(1H-indol-5-yl)-2-thiophen-3-ylpyrrolidine-1-carboxamide

(2S)-N-(1H-indol-5-yl)-2-thiophen-3-ylpyrrolidine-1-carboxamide (PubChem CID 94821135) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is (2S)-N-(1H-indol-5-yl)-2-thiophen-3-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(1H-indol-5-yl)-2-thiophen-3-ylpyrrolidine-1-carboxamide
PubChem CID94821135
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name(2S)-N-(1H-indol-5-yl)-2-thiophen-3-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc2[nH]ccc2c1)N1CCC[C@H]1c1ccsc1
InChIInChI=1S/C17H17N3OS/c21-17(19-14-3-4-15-12(10-14)5-7-18-15)20-8-1-2-16(20)13-6-9-22-11-13/h3-7,9-11,16,18H,1-2,8H2,(H,19,21)/t16-/m0/s1
InChIKeyVRQKSLXZRGXQQB-INIZCTEOSA-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

N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 47034756
(2S)-N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94081579
(2R)-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 135996421
cyclopropyl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 94117667
N'-benzoyl-2-thiophen-3-ylpyrrolidine-1-carbohydrazide
CID 51124417
2-(1,3-benzodioxol-5-yl)-N-thiophen-3-ylpyrrolidine-1-carboxamide
CID 126777607
N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 136542757
3-[(2-thiophen-3-ylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 122019398
(2S)-N-[(4-hydroxyphenyl)methyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94054166
(2S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94031902
(2R)-N-[(3S)-2-oxoazepan-3-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94058661
(2S)-N-[(3R)-2-oxoazepan-3-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94058656

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1H-indol-5-yl)-2-thiophen-3-ylpyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-(1H-indol-5-yl)-2-thiophen-3-ylpyrrolidine-1-carboxamide (CID 94821135) is (2S)-N-(1H-indol-5-yl)-2-thiophen-3-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(1H-indol-5-yl)-2-thiophen-3-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-(1H-indol-5-yl)-2-thiophen-3-ylpyrrolidine-1-carboxamide is O=C(Nc1ccc2[nH]ccc2c1)N1CCC[C@H]1c1ccsc1.
What is the InChIKey of (2S)-N-(1H-indol-5-yl)-2-thiophen-3-ylpyrrolidine-1-carboxamide?
The InChIKey is VRQKSLXZRGXQQB-INIZCTEOSA-N. The full InChI is InChI=1S/C17H17N3OS/c21-17(19-14-3-4-15-12(10-14)5-7-18-15)20-8-1-2-16(20)13-6-9-22-11-13/h3-7,9-11,16,18H,1-2,8H2,(H,19,21)/t16-/m0/s1.
What are the key properties of (2S)-N-(1H-indol-5-yl)-2-thiophen-3-ylpyrrolidine-1-carboxamide?
(2S)-N-(1H-indol-5-yl)-2-thiophen-3-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 (2S)-N-(1H-indol-5-yl)-2-thiophen-3-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 94821135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).