2-(4-methylphenyl)-4-thiophen-3-yl-1H-indole-7-carboxamide

C20H16N2OS — CID 86763195

IUPAC2-(4-methylphenyl)-4-thiophen-3-yl-1H-indole-7-carboxamide
SMILESCc1ccc(-c2cc3c(-c4ccsc4)ccc(C(N)=O)c3[nH]2)cc1
InChIInChI=1S/C20H16N2OS/c1-12-2-4-13(5-3-12)18-10-17-15(14-8-9-24-11-14)6-7-16(20(21)23)19(17)22-18/h2-11,22H,1H3,(H2,21,23)
InChIKeyBJXLJSNZGWLSMQ-UHFFFAOYSA-N
MW332.43 g/mol
LogP4.97
Rot. Bonds3

About 2-(4-methylphenyl)-4-thiophen-3-yl-1H-indole-7-carboxamide

2-(4-methylphenyl)-4-thiophen-3-yl-1H-indole-7-carboxamide (PubChem CID 86763195) has the molecular formula C20H16N2OS and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-(4-methylphenyl)-4-thiophen-3-yl-1H-indole-7-carboxamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-4-thiophen-3-yl-1H-indole-7-carboxamide
PubChem CID86763195
Molecular FormulaC20H16N2OS
Molecular Weight332.43 g/mol
Exact Mass332.10
IUPAC Name2-(4-methylphenyl)-4-thiophen-3-yl-1H-indole-7-carboxamide
SMILESCc1ccc(-c2cc3c(-c4ccsc4)ccc(C(N)=O)c3[nH]2)cc1
InChIInChI=1S/C20H16N2OS/c1-12-2-4-13(5-3-12)18-10-17-15(14-8-9-24-11-14)6-7-16(20(21)23)19(17)22-18/h2-11,22H,1H3,(H2,21,23)
InChIKeyBJXLJSNZGWLSMQ-UHFFFAOYSA-N
XLogP4.97
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-4-thiophen-3-yl-1H-indole-7-carboxamide?
The IUPAC name of 2-(4-methylphenyl)-4-thiophen-3-yl-1H-indole-7-carboxamide (CID 86763195) is 2-(4-methylphenyl)-4-thiophen-3-yl-1H-indole-7-carboxamide.
What is the SMILES notation for 2-(4-methylphenyl)-4-thiophen-3-yl-1H-indole-7-carboxamide?
The canonical SMILES for 2-(4-methylphenyl)-4-thiophen-3-yl-1H-indole-7-carboxamide is Cc1ccc(-c2cc3c(-c4ccsc4)ccc(C(N)=O)c3[nH]2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-4-thiophen-3-yl-1H-indole-7-carboxamide?
The InChIKey is BJXLJSNZGWLSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2OS/c1-12-2-4-13(5-3-12)18-10-17-15(14-8-9-24-11-14)6-7-16(20(21)23)19(17)22-18/h2-11,22H,1H3,(H2,21,23).
What are the key properties of 2-(4-methylphenyl)-4-thiophen-3-yl-1H-indole-7-carboxamide?
2-(4-methylphenyl)-4-thiophen-3-yl-1H-indole-7-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 4.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-4-thiophen-3-yl-1H-indole-7-carboxamide is sourced from PubChem (CID 86763195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).