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

C21H18N2OS — CID 118463358

IUPACN-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide
SMILESCc1ccc(Cn2cc(NC(=O)c3cccs3)c3ccccc32)cc1
InChIInChI=1S/C21H18N2OS/c1-15-8-10-16(11-9-15)13-23-14-18(17-5-2-3-6-19(17)23)22-21(24)20-7-4-12-25-20/h2-12,14H,13H2,1H3,(H,22,24)
InChIKeyBKSRTXNZCLSGRX-UHFFFAOYSA-N
MW346.46 g/mol
LogP5.31
Rot. Bonds4

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

N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide (PubChem CID 118463358) has the molecular formula C21H18N2OS and a molecular weight of 346.46 g/mol. Its IUPAC name is N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide
PubChem CID118463358
Molecular FormulaC21H18N2OS
Molecular Weight346.46 g/mol
Exact Mass346.11
IUPAC NameN-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide
SMILESCc1ccc(Cn2cc(NC(=O)c3cccs3)c3ccccc32)cc1
InChIInChI=1S/C21H18N2OS/c1-15-8-10-16(11-9-15)13-23-14-18(17-5-2-3-6-19(17)23)22-21(24)20-7-4-12-25-20/h2-12,14H,13H2,1H3,(H,22,24)
InChIKeyBKSRTXNZCLSGRX-UHFFFAOYSA-N
XLogP5.31
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.46
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide
CID 118463369
N-(1-benzyl-5-methyl-2-oxo-3-pyridinyl)thiophene-2-carboxamide
CID 3231706
N-[(5Z)-5-[[1-[(4-methylphenyl)methyl]indol-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]thiophene-2-carboxamide
CID 126345092
N-[1-[(4-cyanophenyl)methyl]indol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 118335603
N-[[1-[(4-methylphenyl)methyl]indol-3-yl]methyl]-1-thiophen-2-ylmethanamine
CID 124812324
N-(4-methylphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
CID 5043393
4-[1-[(4-methylphenyl)methyl]indol-3-yl]-2,4-dioxobutanoic acid
CID 73292047
N-[2-(chloromethyl)phenyl]thiophene-2-carboxamide
CID 114298046
(2S)-2-(methylamino)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]propanoic acid
CID 68812969
N-[1-[(4-cyanophenyl)methyl]indol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide
CID 118335610
N-(2,5-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetamide
CID 5065229
N-(2,5-dimethylphenyl)thiophene-2-carboxamide;ethane
CID 143815290

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide (CID 118463358) is N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide is Cc1ccc(Cn2cc(NC(=O)c3cccs3)c3ccccc32)cc1.
What is the InChIKey of N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide?
The InChIKey is BKSRTXNZCLSGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2OS/c1-15-8-10-16(11-9-15)13-23-14-18(17-5-2-3-6-19(17)23)22-21(24)20-7-4-12-25-20/h2-12,14H,13H2,1H3,(H,22,24).
What are the key properties of N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide?
N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide has a molecular weight of 346.46 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 118463358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).