N-(6-benzamido-4-methyl-3-pyridinyl)thiophene-2-carboxamide

C18H15N3O2S — CID 1449344

IUPACN-(6-benzamido-4-methyl-3-pyridinyl)thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2ccccc2)ncc1NC(=O)c1cccs1
InChIInChI=1S/C18H15N3O2S/c1-12-10-16(21-17(22)13-6-3-2-4-7-13)19-11-14(12)20-18(23)15-8-5-9-24-15/h2-11H,1H3,(H,20,23)(H,19,21,22)
InChIKeySOMKSZQUCGGTRJ-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.96
Rot. Bonds4

About N-(6-benzamido-4-methyl-3-pyridinyl)thiophene-2-carboxamide

N-(6-benzamido-4-methyl-3-pyridinyl)thiophene-2-carboxamide (PubChem CID 1449344) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is N-(6-benzamido-4-methyl-3-pyridinyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-benzamido-4-methyl-3-pyridinyl)thiophene-2-carboxamide
PubChem CID1449344
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC NameN-(6-benzamido-4-methyl-3-pyridinyl)thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2ccccc2)ncc1NC(=O)c1cccs1
InChIInChI=1S/C18H15N3O2S/c1-12-10-16(21-17(22)13-6-3-2-4-7-13)19-11-14(12)20-18(23)15-8-5-9-24-15/h2-11H,1H3,(H,20,23)(H,19,21,22)
InChIKeySOMKSZQUCGGTRJ-UHFFFAOYSA-N
XLogP3.96
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-benzamido-4-methyl-3-pyridinyl)thiophene-2-carboxamide?
The IUPAC name of N-(6-benzamido-4-methyl-3-pyridinyl)thiophene-2-carboxamide (CID 1449344) is N-(6-benzamido-4-methyl-3-pyridinyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(6-benzamido-4-methyl-3-pyridinyl)thiophene-2-carboxamide?
The canonical SMILES for N-(6-benzamido-4-methyl-3-pyridinyl)thiophene-2-carboxamide is Cc1cc(NC(=O)c2ccccc2)ncc1NC(=O)c1cccs1.
What is the InChIKey of N-(6-benzamido-4-methyl-3-pyridinyl)thiophene-2-carboxamide?
The InChIKey is SOMKSZQUCGGTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S/c1-12-10-16(21-17(22)13-6-3-2-4-7-13)19-11-14(12)20-18(23)15-8-5-9-24-15/h2-11H,1H3,(H,20,23)(H,19,21,22).
What are the key properties of N-(6-benzamido-4-methyl-3-pyridinyl)thiophene-2-carboxamide?
N-(6-benzamido-4-methyl-3-pyridinyl)thiophene-2-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-benzamido-4-methyl-3-pyridinyl)thiophene-2-carboxamide is sourced from PubChem (CID 1449344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).