N-thiophen-3-yl-2,3-dihydro-1H-indole-2-carboxamide

C13H12N2OS — CID 77126351

IUPACN-thiophen-3-yl-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C(Nc1ccsc1)C1Cc2ccccc2N1
InChIInChI=1S/C13H12N2OS/c16-13(14-10-5-6-17-8-10)12-7-9-3-1-2-4-11(9)15-12/h1-6,8,12,15H,7H2,(H,14,16)
InChIKeyBHYCVPALRKQHIM-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.72
Rot. Bonds2

About N-thiophen-3-yl-2,3-dihydro-1H-indole-2-carboxamide

N-thiophen-3-yl-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 77126351) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is N-thiophen-3-yl-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-thiophen-3-yl-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID77126351
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC NameN-thiophen-3-yl-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C(Nc1ccsc1)C1Cc2ccccc2N1
InChIInChI=1S/C13H12N2OS/c16-13(14-10-5-6-17-8-10)12-7-9-3-1-2-4-11(9)15-12/h1-6,8,12,15H,7H2,(H,14,16)
InChIKeyBHYCVPALRKQHIM-UHFFFAOYSA-N
XLogP2.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76988868
N-(3,5-dichlorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 46216647
(2S)-N-pyrimidin-5-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 107588543
(2S)-N-(4-cyanophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61148170
N-hydroxy-2,3-dihydro-1H-indole-2-carboxamide
CID 77014605
(2S)-N-[4-(cyanomethyl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 61178228
methyl 4-(2,3-dihydro-1H-indole-2-carbonylamino)benzoate
CID 110861747
N-(1,2-oxazol-4-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76977109
N-(4-nitrophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 46216462
(2S)-N-pyrimidin-2-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 61148592
N-(3-hydroxy-4-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 107701339
(2S)-N-[3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 61179485

Frequently Asked Questions

What is the IUPAC name of N-thiophen-3-yl-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-thiophen-3-yl-2,3-dihydro-1H-indole-2-carboxamide (CID 77126351) is N-thiophen-3-yl-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-thiophen-3-yl-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-thiophen-3-yl-2,3-dihydro-1H-indole-2-carboxamide is O=C(Nc1ccsc1)C1Cc2ccccc2N1.
What is the InChIKey of N-thiophen-3-yl-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is BHYCVPALRKQHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS/c16-13(14-10-5-6-17-8-10)12-7-9-3-1-2-4-11(9)15-12/h1-6,8,12,15H,7H2,(H,14,16).
What are the key properties of N-thiophen-3-yl-2,3-dihydro-1H-indole-2-carboxamide?
N-thiophen-3-yl-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 244.32 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-thiophen-3-yl-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 77126351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).