N-[6-[(4-methoxybenzoyl)amino]-3-pyridinyl]thiophene-2-carboxamide

C18H15N3O3S — CID 1452920

IUPACN-[6-[(4-methoxybenzoyl)amino]-3-pyridinyl]thiophene-2-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(NC(=O)c3cccs3)cn2)cc1
InChIInChI=1S/C18H15N3O3S/c1-24-14-7-4-12(5-8-14)17(22)21-16-9-6-13(11-19-16)20-18(23)15-3-2-10-25-15/h2-11H,1H3,(H,20,23)(H,19,21,22)
InChIKeyJMIOGQUZUBBPIT-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.66
Rot. Bonds5

About N-[6-[(4-methoxybenzoyl)amino]-3-pyridinyl]thiophene-2-carboxamide

N-[6-[(4-methoxybenzoyl)amino]-3-pyridinyl]thiophene-2-carboxamide (PubChem CID 1452920) has the molecular formula C18H15N3O3S and a molecular weight of 353.40 g/mol. Its IUPAC name is N-[6-[(4-methoxybenzoyl)amino]-3-pyridinyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[6-[(4-methoxybenzoyl)amino]-3-pyridinyl]thiophene-2-carboxamide
PubChem CID1452920
Molecular FormulaC18H15N3O3S
Molecular Weight353.40 g/mol
Exact Mass353.08
IUPAC NameN-[6-[(4-methoxybenzoyl)amino]-3-pyridinyl]thiophene-2-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(NC(=O)c3cccs3)cn2)cc1
InChIInChI=1S/C18H15N3O3S/c1-24-14-7-4-12(5-8-14)17(22)21-16-9-6-13(11-19-16)20-18(23)15-3-2-10-25-15/h2-11H,1H3,(H,20,23)(H,19,21,22)
InChIKeyJMIOGQUZUBBPIT-UHFFFAOYSA-N
XLogP3.66
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(4-methoxybenzoyl)amino]-3-pyridinyl]thiophene-2-carboxamide?
The IUPAC name of N-[6-[(4-methoxybenzoyl)amino]-3-pyridinyl]thiophene-2-carboxamide (CID 1452920) is N-[6-[(4-methoxybenzoyl)amino]-3-pyridinyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[6-[(4-methoxybenzoyl)amino]-3-pyridinyl]thiophene-2-carboxamide?
The canonical SMILES for N-[6-[(4-methoxybenzoyl)amino]-3-pyridinyl]thiophene-2-carboxamide is COc1ccc(C(=O)Nc2ccc(NC(=O)c3cccs3)cn2)cc1.
What is the InChIKey of N-[6-[(4-methoxybenzoyl)amino]-3-pyridinyl]thiophene-2-carboxamide?
The InChIKey is JMIOGQUZUBBPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S/c1-24-14-7-4-12(5-8-14)17(22)21-16-9-6-13(11-19-16)20-18(23)15-3-2-10-25-15/h2-11H,1H3,(H,20,23)(H,19,21,22).
What are the key properties of N-[6-[(4-methoxybenzoyl)amino]-3-pyridinyl]thiophene-2-carboxamide?
N-[6-[(4-methoxybenzoyl)amino]-3-pyridinyl]thiophene-2-carboxamide has a molecular weight of 353.40 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(4-methoxybenzoyl)amino]-3-pyridinyl]thiophene-2-carboxamide is sourced from PubChem (CID 1452920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).