5-chloro-N-(2-methyl-1H-indol-3-yl)thiophene-2-carboxamide

C14H11ClN2OS — CID 112527047

IUPAC5-chloro-N-(2-methyl-1H-indol-3-yl)thiophene-2-carboxamide
SMILESCc1[nH]c2ccccc2c1NC(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H11ClN2OS/c1-8-13(9-4-2-3-5-10(9)16-8)17-14(18)11-6-7-12(15)19-11/h2-7,16H,1H3,(H,17,18)
InChIKeyHHXZTUAZNPQHST-UHFFFAOYSA-N
MW290.78 g/mol
LogP4.44
Rot. Bonds2

About 5-chloro-N-(2-methyl-1H-indol-3-yl)thiophene-2-carboxamide

5-chloro-N-(2-methyl-1H-indol-3-yl)thiophene-2-carboxamide (PubChem CID 112527047) has the molecular formula C14H11ClN2OS and a molecular weight of 290.78 g/mol. Its IUPAC name is 5-chloro-N-(2-methyl-1H-indol-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-methyl-1H-indol-3-yl)thiophene-2-carboxamide
PubChem CID112527047
Molecular FormulaC14H11ClN2OS
Molecular Weight290.78 g/mol
Exact Mass290.03
IUPAC Name5-chloro-N-(2-methyl-1H-indol-3-yl)thiophene-2-carboxamide
SMILESCc1[nH]c2ccccc2c1NC(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H11ClN2OS/c1-8-13(9-4-2-3-5-10(9)16-8)17-14(18)11-6-7-12(15)19-11/h2-7,16H,1H3,(H,17,18)
InChIKeyHHXZTUAZNPQHST-UHFFFAOYSA-N
XLogP4.44
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.78
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methyl-1H-indol-3-yl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(2-methyl-1H-indol-3-yl)thiophene-2-carboxamide (CID 112527047) is 5-chloro-N-(2-methyl-1H-indol-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-methyl-1H-indol-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2-methyl-1H-indol-3-yl)thiophene-2-carboxamide is Cc1[nH]c2ccccc2c1NC(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(2-methyl-1H-indol-3-yl)thiophene-2-carboxamide?
The InChIKey is HHXZTUAZNPQHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2OS/c1-8-13(9-4-2-3-5-10(9)16-8)17-14(18)11-6-7-12(15)19-11/h2-7,16H,1H3,(H,17,18).
What are the key properties of 5-chloro-N-(2-methyl-1H-indol-3-yl)thiophene-2-carboxamide?
5-chloro-N-(2-methyl-1H-indol-3-yl)thiophene-2-carboxamide has a molecular weight of 290.78 g/mol, XLogP of 4.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methyl-1H-indol-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 112527047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).