N-methyl-N-(3-methylphenyl)-5-(5-methyl-3-pyridinyl)thiophene-2-carboxamide

C19H18N2OS — CID 118716530

IUPACN-methyl-N-(3-methylphenyl)-5-(5-methyl-3-pyridinyl)thiophene-2-carboxamide
SMILESCc1cncc(-c2ccc(C(=O)N(C)c3cccc(C)c3)s2)c1
InChIInChI=1S/C19H18N2OS/c1-13-5-4-6-16(10-13)21(3)19(22)18-8-7-17(23-18)15-9-14(2)11-20-12-15/h4-12H,1-3H3
InChIKeyNDOLZQZTSHSKPU-UHFFFAOYSA-N
MW322.43 g/mol
LogP4.70
Rot. Bonds3

About N-methyl-N-(3-methylphenyl)-5-(5-methyl-3-pyridinyl)thiophene-2-carboxamide

N-methyl-N-(3-methylphenyl)-5-(5-methyl-3-pyridinyl)thiophene-2-carboxamide (PubChem CID 118716530) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is N-methyl-N-(3-methylphenyl)-5-(5-methyl-3-pyridinyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(3-methylphenyl)-5-(5-methyl-3-pyridinyl)thiophene-2-carboxamide
PubChem CID118716530
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC NameN-methyl-N-(3-methylphenyl)-5-(5-methyl-3-pyridinyl)thiophene-2-carboxamide
SMILESCc1cncc(-c2ccc(C(=O)N(C)c3cccc(C)c3)s2)c1
InChIInChI=1S/C19H18N2OS/c1-13-5-4-6-16(10-13)21(3)19(22)18-8-7-17(23-18)15-9-14(2)11-20-12-15/h4-12H,1-3H3
InChIKeyNDOLZQZTSHSKPU-UHFFFAOYSA-N
XLogP4.70
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylphenyl)-5-(5-methyl-3-pyridinyl)thiophene-2-carboxamide?
The IUPAC name of N-methyl-N-(3-methylphenyl)-5-(5-methyl-3-pyridinyl)thiophene-2-carboxamide (CID 118716530) is N-methyl-N-(3-methylphenyl)-5-(5-methyl-3-pyridinyl)thiophene-2-carboxamide.
What is the SMILES notation for N-methyl-N-(3-methylphenyl)-5-(5-methyl-3-pyridinyl)thiophene-2-carboxamide?
The canonical SMILES for N-methyl-N-(3-methylphenyl)-5-(5-methyl-3-pyridinyl)thiophene-2-carboxamide is Cc1cncc(-c2ccc(C(=O)N(C)c3cccc(C)c3)s2)c1.
What is the InChIKey of N-methyl-N-(3-methylphenyl)-5-(5-methyl-3-pyridinyl)thiophene-2-carboxamide?
The InChIKey is NDOLZQZTSHSKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-13-5-4-6-16(10-13)21(3)19(22)18-8-7-17(23-18)15-9-14(2)11-20-12-15/h4-12H,1-3H3.
What are the key properties of N-methyl-N-(3-methylphenyl)-5-(5-methyl-3-pyridinyl)thiophene-2-carboxamide?
N-methyl-N-(3-methylphenyl)-5-(5-methyl-3-pyridinyl)thiophene-2-carboxamide has a molecular weight of 322.43 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylphenyl)-5-(5-methyl-3-pyridinyl)thiophene-2-carboxamide is sourced from PubChem (CID 118716530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).