2-(carbamoylamino)-6-thiophen-2-yl-1H-indole-3-carboxamide

C14H12N4O2S — CID 24987570

IUPAC2-(carbamoylamino)-6-thiophen-2-yl-1H-indole-3-carboxamide
SMILESNC(=O)Nc1[nH]c2cc(-c3cccs3)ccc2c1C(N)=O
InChIInChI=1S/C14H12N4O2S/c15-12(19)11-8-4-3-7(10-2-1-5-21-10)6-9(8)17-13(11)18-14(16)20/h1-6,17H,(H2,15,19)(H3,16,18,20)
InChIKeyFSWTWVKOYTVGEY-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.49
Rot. Bonds3

About 2-(carbamoylamino)-6-thiophen-2-yl-1H-indole-3-carboxamide

2-(carbamoylamino)-6-thiophen-2-yl-1H-indole-3-carboxamide (PubChem CID 24987570) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-(carbamoylamino)-6-thiophen-2-yl-1H-indole-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-6-thiophen-2-yl-1H-indole-3-carboxamide
PubChem CID24987570
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC Name2-(carbamoylamino)-6-thiophen-2-yl-1H-indole-3-carboxamide
SMILESNC(=O)Nc1[nH]c2cc(-c3cccs3)ccc2c1C(N)=O
InChIInChI=1S/C14H12N4O2S/c15-12(19)11-8-4-3-7(10-2-1-5-21-10)6-9(8)17-13(11)18-14(16)20/h1-6,17H,(H2,15,19)(H3,16,18,20)
InChIKeyFSWTWVKOYTVGEY-UHFFFAOYSA-N
XLogP2.49
TPSA114.00 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-6-thiophen-2-yl-1H-indole-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-6-thiophen-2-yl-1H-indole-3-carboxamide (CID 24987570) is 2-(carbamoylamino)-6-thiophen-2-yl-1H-indole-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-6-thiophen-2-yl-1H-indole-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-6-thiophen-2-yl-1H-indole-3-carboxamide is NC(=O)Nc1[nH]c2cc(-c3cccs3)ccc2c1C(N)=O.
What is the InChIKey of 2-(carbamoylamino)-6-thiophen-2-yl-1H-indole-3-carboxamide?
The InChIKey is FSWTWVKOYTVGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S/c15-12(19)11-8-4-3-7(10-2-1-5-21-10)6-9(8)17-13(11)18-14(16)20/h1-6,17H,(H2,15,19)(H3,16,18,20).
What are the key properties of 2-(carbamoylamino)-6-thiophen-2-yl-1H-indole-3-carboxamide?
2-(carbamoylamino)-6-thiophen-2-yl-1H-indole-3-carboxamide has a molecular weight of 300.34 g/mol, XLogP of 2.49, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-6-thiophen-2-yl-1H-indole-3-carboxamide is sourced from PubChem (CID 24987570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).