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

C15H13N3O2S — CID 2126205

IUPAC2-[[2-(1H-indol-3-yl)acetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C15H13N3O2S/c16-14(20)11-5-6-21-15(11)18-13(19)7-9-8-17-12-4-2-1-3-10(9)12/h1-6,8,17H,7H2,(H2,16,20)(H,18,19)
InChIKeyOSDJUYYUHGSNTP-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.51
Rot. Bonds4

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

2-[[2-(1H-indol-3-yl)acetyl]amino]thiophene-3-carboxamide (PubChem CID 2126205) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 2-[[2-(1H-indol-3-yl)acetyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-(1H-indol-3-yl)acetyl]amino]thiophene-3-carboxamide
PubChem CID2126205
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name2-[[2-(1H-indol-3-yl)acetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C15H13N3O2S/c16-14(20)11-5-6-21-15(11)18-13(19)7-9-8-17-12-4-2-1-3-10(9)12/h1-6,8,17H,7H2,(H2,16,20)(H,18,19)
InChIKeyOSDJUYYUHGSNTP-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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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1H-indol-3-yl)acetyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[2-(1H-indol-3-yl)acetyl]amino]thiophene-3-carboxamide (CID 2126205) is 2-[[2-(1H-indol-3-yl)acetyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-(1H-indol-3-yl)acetyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[2-(1H-indol-3-yl)acetyl]amino]thiophene-3-carboxamide is NC(=O)c1ccsc1NC(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of 2-[[2-(1H-indol-3-yl)acetyl]amino]thiophene-3-carboxamide?
The InChIKey is OSDJUYYUHGSNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c16-14(20)11-5-6-21-15(11)18-13(19)7-9-8-17-12-4-2-1-3-10(9)12/h1-6,8,17H,7H2,(H2,16,20)(H,18,19).
What are the key properties of 2-[[2-(1H-indol-3-yl)acetyl]amino]thiophene-3-carboxamide?
2-[[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 2-[[2-(1H-indol-3-yl)acetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 2126205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).