7-amino-N-(1-thiophen-3-ylethyl)-1H-indole-2-carboxamide

C15H15N3OS — CID 63117832

IUPAC7-amino-N-(1-thiophen-3-ylethyl)-1H-indole-2-carboxamide
SMILESCC(NC(=O)c1cc2cccc(N)c2[nH]1)c1ccsc1
InChIInChI=1S/C15H15N3OS/c1-9(11-5-6-20-8-11)17-15(19)13-7-10-3-2-4-12(16)14(10)18-13/h2-9,18H,16H2,1H3,(H,17,19)
InChIKeyRTXDPDVMRSDNLE-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.30
Rot. Bonds3

About 7-amino-N-(1-thiophen-3-ylethyl)-1H-indole-2-carboxamide

7-amino-N-(1-thiophen-3-ylethyl)-1H-indole-2-carboxamide (PubChem CID 63117832) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 7-amino-N-(1-thiophen-3-ylethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-amino-N-(1-thiophen-3-ylethyl)-1H-indole-2-carboxamide
PubChem CID63117832
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name7-amino-N-(1-thiophen-3-ylethyl)-1H-indole-2-carboxamide
SMILESCC(NC(=O)c1cc2cccc(N)c2[nH]1)c1ccsc1
InChIInChI=1S/C15H15N3OS/c1-9(11-5-6-20-8-11)17-15(19)13-7-10-3-2-4-12(16)14(10)18-13/h2-9,18H,16H2,1H3,(H,17,19)
InChIKeyRTXDPDVMRSDNLE-UHFFFAOYSA-N
XLogP3.30
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(1-thiophen-3-ylethyl)-1H-indole-2-carboxamide?
The IUPAC name of 7-amino-N-(1-thiophen-3-ylethyl)-1H-indole-2-carboxamide (CID 63117832) is 7-amino-N-(1-thiophen-3-ylethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 7-amino-N-(1-thiophen-3-ylethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 7-amino-N-(1-thiophen-3-ylethyl)-1H-indole-2-carboxamide is CC(NC(=O)c1cc2cccc(N)c2[nH]1)c1ccsc1.
What is the InChIKey of 7-amino-N-(1-thiophen-3-ylethyl)-1H-indole-2-carboxamide?
The InChIKey is RTXDPDVMRSDNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-9(11-5-6-20-8-11)17-15(19)13-7-10-3-2-4-12(16)14(10)18-13/h2-9,18H,16H2,1H3,(H,17,19).
What are the key properties of 7-amino-N-(1-thiophen-3-ylethyl)-1H-indole-2-carboxamide?
7-amino-N-(1-thiophen-3-ylethyl)-1H-indole-2-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 3.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(1-thiophen-3-ylethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 63117832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).