N-(2,3-dimethylphenyl)-5-indol-1-ylthiophene-2-carboxamide

C21H18N2OS — CID 20940651

IUPACN-(2,3-dimethylphenyl)-5-indol-1-ylthiophene-2-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(-n3ccc4ccccc43)s2)c1C
InChIInChI=1S/C21H18N2OS/c1-14-6-5-8-17(15(14)2)22-21(24)19-10-11-20(25-19)23-13-12-16-7-3-4-9-18(16)23/h3-13H,1-2H3,(H,22,24)
InChIKeyWILLCKHMNIDQJX-UHFFFAOYSA-N
MW346.46 g/mol
LogP5.56
Rot. Bonds3

About N-(2,3-dimethylphenyl)-5-indol-1-ylthiophene-2-carboxamide

N-(2,3-dimethylphenyl)-5-indol-1-ylthiophene-2-carboxamide (PubChem CID 20940651) has the molecular formula C21H18N2OS and a molecular weight of 346.46 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-5-indol-1-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-5-indol-1-ylthiophene-2-carboxamide
PubChem CID20940651
Molecular FormulaC21H18N2OS
Molecular Weight346.46 g/mol
Exact Mass346.11
IUPAC NameN-(2,3-dimethylphenyl)-5-indol-1-ylthiophene-2-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(-n3ccc4ccccc43)s2)c1C
InChIInChI=1S/C21H18N2OS/c1-14-6-5-8-17(15(14)2)22-21(24)19-10-11-20(25-19)23-13-12-16-7-3-4-9-18(16)23/h3-13H,1-2H3,(H,22,24)
InChIKeyWILLCKHMNIDQJX-UHFFFAOYSA-N
XLogP5.56
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.46
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-5-methylthiophene-2-carboxamide
CID 7733041
N-cycloheptyl-5-indol-1-ylthiophene-2-carboxamide
CID 20940648
N-(2,3-dimethylphenyl)-1,2-thiazole-5-carboxamide
CID 110692180
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 26661051
N-(2,3-dimethylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694521
2-(2,3-dimethylanilino)-N-(2,3-dimethylphenyl)-2-sulfanylideneacetamide
CID 3596672
3-N-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109056848
N-(2,3-dimethylphenyl)-3-methylthiophene-2-carboxamide
CID 7947060
2-[(2,3-dimethylphenyl)carbamoyl]benzoate
CID 6950917
N-(2,3-dimethylphenyl)-1-(4-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109068737
N-(2,3-dimethylphenyl)isoquinoline-8-carboxamide
CID 110857655
N-(3-amino-2-methylphenyl)-2-indol-1-ylacetamide
CID 43247265

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-5-indol-1-ylthiophene-2-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-5-indol-1-ylthiophene-2-carboxamide (CID 20940651) is N-(2,3-dimethylphenyl)-5-indol-1-ylthiophene-2-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-5-indol-1-ylthiophene-2-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-5-indol-1-ylthiophene-2-carboxamide is Cc1cccc(NC(=O)c2ccc(-n3ccc4ccccc43)s2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-5-indol-1-ylthiophene-2-carboxamide?
The InChIKey is WILLCKHMNIDQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2OS/c1-14-6-5-8-17(15(14)2)22-21(24)19-10-11-20(25-19)23-13-12-16-7-3-4-9-18(16)23/h3-13H,1-2H3,(H,22,24).
What are the key properties of N-(2,3-dimethylphenyl)-5-indol-1-ylthiophene-2-carboxamide?
N-(2,3-dimethylphenyl)-5-indol-1-ylthiophene-2-carboxamide has a molecular weight of 346.46 g/mol, XLogP of 5.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-5-indol-1-ylthiophene-2-carboxamide is sourced from PubChem (CID 20940651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).