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

C14H11ClN4O2S — CID 24987948

IUPAC2-(carbamoylamino)-6-(2-chlorothiophen-3-yl)-1H-indole-3-carboxamide
SMILESNC(=O)Nc1[nH]c2cc(-c3ccsc3Cl)ccc2c1C(N)=O
InChIInChI=1S/C14H11ClN4O2S/c15-11-7(3-4-22-11)6-1-2-8-9(5-6)18-13(19-14(17)21)10(8)12(16)20/h1-5,18H,(H2,16,20)(H3,17,19,21)
InChIKeyLTMYIIMREIUNCT-UHFFFAOYSA-N
MW334.79 g/mol
LogP3.14
Rot. Bonds3

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

2-(carbamoylamino)-6-(2-chlorothiophen-3-yl)-1H-indole-3-carboxamide (PubChem CID 24987948) has the molecular formula C14H11ClN4O2S and a molecular weight of 334.79 g/mol. Its IUPAC name is 2-(carbamoylamino)-6-(2-chlorothiophen-3-yl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-6-(2-chlorothiophen-3-yl)-1H-indole-3-carboxamide
PubChem CID24987948
Molecular FormulaC14H11ClN4O2S
Molecular Weight334.79 g/mol
Exact Mass334.03
IUPAC Name2-(carbamoylamino)-6-(2-chlorothiophen-3-yl)-1H-indole-3-carboxamide
SMILESNC(=O)Nc1[nH]c2cc(-c3ccsc3Cl)ccc2c1C(N)=O
InChIInChI=1S/C14H11ClN4O2S/c15-11-7(3-4-22-11)6-1-2-8-9(5-6)18-13(19-14(17)21)10(8)12(16)20/h1-5,18H,(H2,16,20)(H3,17,19,21)
InChIKeyLTMYIIMREIUNCT-UHFFFAOYSA-N
XLogP3.14
TPSA114.00 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.79
LogP ≤ 53.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-6-(2-chlorothiophen-3-yl)-1H-indole-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-6-(2-chlorothiophen-3-yl)-1H-indole-3-carboxamide (CID 24987948) is 2-(carbamoylamino)-6-(2-chlorothiophen-3-yl)-1H-indole-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-6-(2-chlorothiophen-3-yl)-1H-indole-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-6-(2-chlorothiophen-3-yl)-1H-indole-3-carboxamide is NC(=O)Nc1[nH]c2cc(-c3ccsc3Cl)ccc2c1C(N)=O.
What is the InChIKey of 2-(carbamoylamino)-6-(2-chlorothiophen-3-yl)-1H-indole-3-carboxamide?
The InChIKey is LTMYIIMREIUNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O2S/c15-11-7(3-4-22-11)6-1-2-8-9(5-6)18-13(19-14(17)21)10(8)12(16)20/h1-5,18H,(H2,16,20)(H3,17,19,21).
What are the key properties of 2-(carbamoylamino)-6-(2-chlorothiophen-3-yl)-1H-indole-3-carboxamide?
2-(carbamoylamino)-6-(2-chlorothiophen-3-yl)-1H-indole-3-carboxamide has a molecular weight of 334.79 g/mol, XLogP of 3.14, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-6-(2-chlorothiophen-3-yl)-1H-indole-3-carboxamide is sourced from PubChem (CID 24987948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).