4-[[2-(1H-indol-3-yl)acetyl]amino]thiophene-3-carboxamide

C15H13N3O2S — CID 126852042

IUPAC4-[[2-(1H-indol-3-yl)acetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1cscc1NC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C15H13N3O2S/c16-15(20)11-7-21-8-13(11)18-14(19)5-9-6-17-12-4-2-1-3-10(9)12/h1-4,6-8,17H,5H2,(H2,16,20)(H,18,19)
InChIKeyMTYCFVZZFMCSNN-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.51
Rot. Bonds4

About 4-[[2-(1H-indol-3-yl)acetyl]amino]thiophene-3-carboxamide

4-[[2-(1H-indol-3-yl)acetyl]amino]thiophene-3-carboxamide (PubChem CID 126852042) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 4-[[2-(1H-indol-3-yl)acetyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name4-[[2-(1H-indol-3-yl)acetyl]amino]thiophene-3-carboxamide
PubChem CID126852042
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name4-[[2-(1H-indol-3-yl)acetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1cscc1NC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C15H13N3O2S/c16-15(20)11-7-21-8-13(11)18-14(19)5-9-6-17-12-4-2-1-3-10(9)12/h1-4,6-8,17H,5H2,(H2,16,20)(H,18,19)
InChIKeyMTYCFVZZFMCSNN-UHFFFAOYSA-N
XLogP2.51
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(1H-indol-3-yl)propanoylamino]benzamide
CID 17415976
N-[2-(hydroxymethyl)phenyl]-2-(1H-indol-3-yl)acetamide
CID 60653710
2-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]benzamide
CID 110700282
2-(1H-indol-3-yl)-N-(1H-indol-4-yl)acetamide
CID 110745009
2-(1H-indol-3-yl)-N-(2-thiophen-2-ylphenyl)acetamide
CID 17398563
2-(1H-indol-3-yl)-N-(2-oxo-1H-pyridin-3-yl)acetamide
CID 51101093
N-(2,6-difluoro-3-pyridinyl)-2-(1H-indol-3-yl)acetamide
CID 103097670
N-(2-chloro-3-pyridinyl)-2-(1H-indol-3-yl)acetamide
CID 10869874
N-[6-(2-ethylanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide
CID 113046653
2-(1H-indol-3-yl)-N-[6-(2-phenylethylamino)pyridazin-3-yl]acetamide
CID 113042337
N-[6-(2-chloroanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide
CID 113047370
N-hydroxy-2-(1H-indol-3-yl)acetamide
CID 13058633

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1H-indol-3-yl)acetyl]amino]thiophene-3-carboxamide?
The IUPAC name of 4-[[2-(1H-indol-3-yl)acetyl]amino]thiophene-3-carboxamide (CID 126852042) is 4-[[2-(1H-indol-3-yl)acetyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 4-[[2-(1H-indol-3-yl)acetyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 4-[[2-(1H-indol-3-yl)acetyl]amino]thiophene-3-carboxamide is NC(=O)c1cscc1NC(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of 4-[[2-(1H-indol-3-yl)acetyl]amino]thiophene-3-carboxamide?
The InChIKey is MTYCFVZZFMCSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c16-15(20)11-7-21-8-13(11)18-14(19)5-9-6-17-12-4-2-1-3-10(9)12/h1-4,6-8,17H,5H2,(H2,16,20)(H,18,19).
What are the key properties of 4-[[2-(1H-indol-3-yl)acetyl]amino]thiophene-3-carboxamide?
4-[[2-(1H-indol-3-yl)acetyl]amino]thiophene-3-carboxamide has a molecular weight of 299.36 g/mol, XLogP of 2.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1H-indol-3-yl)acetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 126852042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).