(2S)-N-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]-2,3-dihydro-1H-indole-2-carboxamide

C18H19N3O2S — CID 162697980

IUPAC(2S)-N-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCCC2)s1)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C18H19N3O2S/c22-17(14-11-12-5-1-2-6-13(12)19-14)20-16-8-7-15(24-16)18(23)21-9-3-4-10-21/h1-2,5-8,14,19H,3-4,9-11H2,(H,20,22)/t14-/m0/s1
InChIKeyLSOAWBCAWKHHEL-AWEZNQCLSA-N
MW341.44 g/mol
LogP2.96
Rot. Bonds3

About (2S)-N-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]-2,3-dihydro-1H-indole-2-carboxamide

(2S)-N-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 162697980) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is (2S)-N-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID162697980
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name(2S)-N-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCCC2)s1)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C18H19N3O2S/c22-17(14-11-12-5-1-2-6-13(12)19-14)20-16-8-7-15(24-16)18(23)21-9-3-4-10-21/h1-2,5-8,14,19H,3-4,9-11H2,(H,20,22)/t14-/m0/s1
InChIKeyLSOAWBCAWKHHEL-AWEZNQCLSA-N
XLogP2.96
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(piperidine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide
CID 18135424
[(2S)-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone
CID 61148628
(2S)-1-methyl-N-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]pyrrolidine-2-carboxamide
CID 162697997
N-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]acetamide
CID 60705923
(2S)-N-piperidin-1-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 83020881
N-piperidin-1-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 83022174
N-hydroxy-2,3-dihydro-1H-indole-2-carboxamide
CID 77014605
N-thiophen-3-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 77126351
1-[4-(2,3-dihydro-1H-indole-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 76912181
5-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]thiophene-2-carboxylic acid
CID 93058416
(2S)-N-pyrimidin-2-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 61148592
2,3-dihydro-1H-indol-2-yl-(4-methyl-1,4-diazepan-1-yl)methanone
CID 76891866

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of (2S)-N-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]-2,3-dihydro-1H-indole-2-carboxamide (CID 162697980) is (2S)-N-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for (2S)-N-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for (2S)-N-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]-2,3-dihydro-1H-indole-2-carboxamide is O=C(Nc1ccc(C(=O)N2CCCC2)s1)[C@@H]1Cc2ccccc2N1.
What is the InChIKey of (2S)-N-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is LSOAWBCAWKHHEL-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19N3O2S/c22-17(14-11-12-5-1-2-6-13(12)19-14)20-16-8-7-15(24-16)18(23)21-9-3-4-10-21/h1-2,5-8,14,19H,3-4,9-11H2,(H,20,22)/t14-/m0/s1.
What are the key properties of (2S)-N-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]-2,3-dihydro-1H-indole-2-carboxamide?
(2S)-N-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 162697980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).