2-indol-1-yl-4,5-dimethylthiophene-3-carboxamide

C15H14N2OS — CID 70159125

IUPAC2-indol-1-yl-4,5-dimethylthiophene-3-carboxamide
SMILESCc1sc(-n2ccc3ccccc32)c(C(N)=O)c1C
InChIInChI=1S/C15H14N2OS/c1-9-10(2)19-15(13(9)14(16)18)17-8-7-11-5-3-4-6-12(11)17/h3-8H,1-2H3,(H2,16,18)
InChIKeyVQRFQPBCAFBIAY-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.41
Rot. Bonds2

About 2-indol-1-yl-4,5-dimethylthiophene-3-carboxamide

2-indol-1-yl-4,5-dimethylthiophene-3-carboxamide (PubChem CID 70159125) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-indol-1-yl-4,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-indol-1-yl-4,5-dimethylthiophene-3-carboxamide
PubChem CID70159125
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name2-indol-1-yl-4,5-dimethylthiophene-3-carboxamide
SMILESCc1sc(-n2ccc3ccccc32)c(C(N)=O)c1C
InChIInChI=1S/C15H14N2OS/c1-9-10(2)19-15(13(9)14(16)18)17-8-7-11-5-3-4-6-12(11)17/h3-8H,1-2H3,(H2,16,18)
InChIKeyVQRFQPBCAFBIAY-UHFFFAOYSA-N
XLogP3.41
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-indol-1-ylbenzamide
CID 10879114
3-indol-1-ylbenzamide;hydrochloride
CID 70409706
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CID 86087512
4,5-dimethyl-2-(naphthalen-1-ylcarbamoylamino)thiophene-3-carboxamide
CID 35523539
N-(2,3-dimethylphenyl)-5-indol-1-ylthiophene-2-carboxamide
CID 20940651
4,5-dimethyl-2-[(2-naphthalen-2-ylacetyl)amino]thiophene-3-carboxamide
CID 46926709
N-(benzimidazol-1-yl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide
CID 24669676
4,5-dimethyl-2-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoylamino]thiophene-3-carboxamide
CID 84568080
indol-1-yl-(4-methylphenyl)methanone
CID 10955526
2-amino-2-(1-methylindol-2-yl)acetic acid
CID 82658880
N-[2-(diethylamino)ethyl]-5-indol-1-ylthiophene-2-carboxamide
CID 20940664
2-(5-nitroindol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 91410825

Frequently Asked Questions

What is the IUPAC name of 2-indol-1-yl-4,5-dimethylthiophene-3-carboxamide?
The IUPAC name of 2-indol-1-yl-4,5-dimethylthiophene-3-carboxamide (CID 70159125) is 2-indol-1-yl-4,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for 2-indol-1-yl-4,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for 2-indol-1-yl-4,5-dimethylthiophene-3-carboxamide is Cc1sc(-n2ccc3ccccc32)c(C(N)=O)c1C.
What is the InChIKey of 2-indol-1-yl-4,5-dimethylthiophene-3-carboxamide?
The InChIKey is VQRFQPBCAFBIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-9-10(2)19-15(13(9)14(16)18)17-8-7-11-5-3-4-6-12(11)17/h3-8H,1-2H3,(H2,16,18).
What are the key properties of 2-indol-1-yl-4,5-dimethylthiophene-3-carboxamide?
2-indol-1-yl-4,5-dimethylthiophene-3-carboxamide has a molecular weight of 270.36 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indol-1-yl-4,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 70159125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).