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

C15H14N2OS — CID 110782300

IUPACN-[(2-methyl-1H-indol-3-yl)methyl]thiophene-2-carboxamide
SMILESCc1[nH]c2ccccc2c1CNC(=O)c1cccs1
InChIInChI=1S/C15H14N2OS/c1-10-12(11-5-2-3-6-13(11)17-10)9-16-15(18)14-7-4-8-19-14/h2-8,17H,9H2,1H3,(H,16,18)
InChIKeyWCJOGDSTXIBUNX-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.47
Rot. Bonds3

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

N-[(2-methyl-1H-indol-3-yl)methyl]thiophene-2-carboxamide (PubChem CID 110782300) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is N-[(2-methyl-1H-indol-3-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methyl-1H-indol-3-yl)methyl]thiophene-2-carboxamide
PubChem CID110782300
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC NameN-[(2-methyl-1H-indol-3-yl)methyl]thiophene-2-carboxamide
SMILESCc1[nH]c2ccccc2c1CNC(=O)c1cccs1
InChIInChI=1S/C15H14N2OS/c1-10-12(11-5-2-3-6-13(11)17-10)9-16-15(18)14-7-4-8-19-14/h2-8,17H,9H2,1H3,(H,16,18)
InChIKeyWCJOGDSTXIBUNX-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

methyl N-[(2-methyl-1H-indol-3-yl)methyl]carbamate
CID 110782329
1-methyl-3-[(2-methyl-1H-indol-3-yl)methyl]urea
CID 115169132
phenyl N-[(2-methyl-1H-indol-3-yl)methyl]carbamate
CID 110782331
N-benzylthiophene-2-carboxamide
CID 574227
5-bromo-N-[(2-methyl-1H-indol-3-yl)methyl]furan-2-carboxamide
CID 110794088
1-[(2-methyl-1H-indol-3-yl)methyl]-3-propylurea
CID 110775099
2-(hydroxymethyl)-N-[(2-methyl-1H-indol-3-yl)methyl]butanamide
CID 115186562
N-[(2-methyl-1H-indol-3-yl)methyl]pyrazine-2-carboxamide
CID 110794075
4-amino-N-[(2-methyl-1H-indol-3-yl)methyl]butanamide
CID 115155288
N-(1H-benzimidazol-2-ylmethyl)thiophene-2-carboxamide
CID 751095
N-[(2-methyl-1H-indol-3-yl)methyl]-2-phenoxyacetamide
CID 110782317
N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]thiophene-2-carboxamide
CID 617829

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1H-indol-3-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-[(2-methyl-1H-indol-3-yl)methyl]thiophene-2-carboxamide (CID 110782300) is N-[(2-methyl-1H-indol-3-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2-methyl-1H-indol-3-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(2-methyl-1H-indol-3-yl)methyl]thiophene-2-carboxamide is Cc1[nH]c2ccccc2c1CNC(=O)c1cccs1.
What is the InChIKey of N-[(2-methyl-1H-indol-3-yl)methyl]thiophene-2-carboxamide?
The InChIKey is WCJOGDSTXIBUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-10-12(11-5-2-3-6-13(11)17-10)9-16-15(18)14-7-4-8-19-14/h2-8,17H,9H2,1H3,(H,16,18).
What are the key properties of N-[(2-methyl-1H-indol-3-yl)methyl]thiophene-2-carboxamide?
N-[(2-methyl-1H-indol-3-yl)methyl]thiophene-2-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-[(2-methyl-1H-indol-3-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 110782300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).