3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide

C22H20N2OS — CID 118463369

IUPAC3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide
SMILESCc1ccc(Cn2cc(NC(=O)c3sccc3C)c3ccccc32)cc1
InChIInChI=1S/C22H20N2OS/c1-15-7-9-17(10-8-15)13-24-14-19(18-5-3-4-6-20(18)24)23-22(25)21-16(2)11-12-26-21/h3-12,14H,13H2,1-2H3,(H,23,25)
InChIKeyPHYKPHIVVJMCFK-UHFFFAOYSA-N
MW360.48 g/mol
LogP5.62
Rot. Bonds4

About 3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide

3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide (PubChem CID 118463369) has the molecular formula C22H20N2OS and a molecular weight of 360.48 g/mol. Its IUPAC name is 3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide
PubChem CID118463369
Molecular FormulaC22H20N2OS
Molecular Weight360.48 g/mol
Exact Mass360.13
IUPAC Name3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide
SMILESCc1ccc(Cn2cc(NC(=O)c3sccc3C)c3ccccc32)cc1
InChIInChI=1S/C22H20N2OS/c1-15-7-9-17(10-8-15)13-24-14-19(18-5-3-4-6-20(18)24)23-22(25)21-16(2)11-12-26-21/h3-12,14H,13H2,1-2H3,(H,23,25)
InChIKeyPHYKPHIVVJMCFK-UHFFFAOYSA-N
XLogP5.62
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.48
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide
CID 118463358
N-[1-[(4-cyanophenyl)methyl]indol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 118335603
N-[2-(chloromethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 114298265
3-methyl-N-(2-methylphenyl)thiophene-2-carboxamide
CID 8714089
4-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;3-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;2-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-thiazole-3-carboxamide
CID 158173835
N-(2-ethylphenyl)-3-methylthiophene-2-carboxamide
CID 8839481
N-(2,5-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetamide
CID 5065229
4-[1-[(4-methylphenyl)methyl]indol-3-yl]-2,4-dioxobutanoic acid
CID 73292047
1-benzyl-N-(2,3-dimethylphenyl)indole-3-carboxamide
CID 24661406
4,5-dimethyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1-benzofuran-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-2-carboxamide
CID 159003069
N-[2-(aminomethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 64894662
N-[1-[(4-cyanophenyl)methyl]indol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide
CID 118335610

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide (CID 118463369) is 3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide is Cc1ccc(Cn2cc(NC(=O)c3sccc3C)c3ccccc32)cc1.
What is the InChIKey of 3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide?
The InChIKey is PHYKPHIVVJMCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2OS/c1-15-7-9-17(10-8-15)13-24-14-19(18-5-3-4-6-20(18)24)23-22(25)21-16(2)11-12-26-21/h3-12,14H,13H2,1-2H3,(H,23,25).
What are the key properties of 3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide?
3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide has a molecular weight of 360.48 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 118463369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).