N-[(5-methylthiophen-2-yl)methyl]-1H-indole-3-carboxamide

C15H14N2OS — CID 47381407

IUPACN-[(5-methylthiophen-2-yl)methyl]-1H-indole-3-carboxamide
SMILESCc1ccc(CNC(=O)c2c[nH]c3ccccc23)s1
InChIInChI=1S/C15H14N2OS/c1-10-6-7-11(19-10)8-17-15(18)13-9-16-14-5-3-2-4-12(13)14/h2-7,9,16H,8H2,1H3,(H,17,18)
InChIKeyGTDGXPHQGQRTKD-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.47
Rot. Bonds3

About N-[(5-methylthiophen-2-yl)methyl]-1H-indole-3-carboxamide

N-[(5-methylthiophen-2-yl)methyl]-1H-indole-3-carboxamide (PubChem CID 47381407) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-1H-indole-3-carboxamide
PubChem CID47381407
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-1H-indole-3-carboxamide
SMILESCc1ccc(CNC(=O)c2c[nH]c3ccccc23)s1
InChIInChI=1S/C15H14N2OS/c1-10-6-7-11(19-10)8-17-15(18)13-9-16-14-5-3-2-4-12(13)14/h2-7,9,16H,8H2,1H3,(H,17,18)
InChIKeyGTDGXPHQGQRTKD-UHFFFAOYSA-N
XLogP3.47
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-1H-indole-3-carboxamide
CID 47291740
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-3-carboxamide
CID 47363953
N-[(1-methylpyrrol-2-yl)methyl]-1H-indole-3-carboxamide
CID 103713461
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-1H-indole-3-carboxamide
CID 121123680
methyl 2-(1H-indole-3-carbonylamino)acetate
CID 43406378
N-[(5-methylthiophen-2-yl)methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 60972041
N-[(3-bromothiophen-2-yl)methyl]-1H-indole-3-carboxamide
CID 78985843
4-amino-N-[(5-methylthiophen-2-yl)methyl]quinoline-2-carboxamide
CID 63375047
N-(3-methyl-2-oxobutyl)-1H-indole-3-carboxamide
CID 59531603
N-[(4-cyanophenyl)methyl]-1H-indole-3-carboxamide
CID 60919239
N-[2-(methylsulfamoyl)ethyl]-1H-indole-3-carboxamide
CID 84541178
1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-[(5-methylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 110997474

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-1H-indole-3-carboxamide?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-1H-indole-3-carboxamide (CID 47381407) is N-[(5-methylthiophen-2-yl)methyl]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-1H-indole-3-carboxamide?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-1H-indole-3-carboxamide is Cc1ccc(CNC(=O)c2c[nH]c3ccccc23)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-1H-indole-3-carboxamide?
The InChIKey is GTDGXPHQGQRTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-10-6-7-11(19-10)8-17-15(18)13-9-16-14-5-3-2-4-12(13)14/h2-7,9,16H,8H2,1H3,(H,17,18).
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-1H-indole-3-carboxamide?
N-[(5-methylthiophen-2-yl)methyl]-1H-indole-3-carboxamide has a molecular weight of 270.36 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 47381407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).