4-(3-methoxybenzoyl)-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide

C18H16N2O3S — CID 1485201

IUPAC4-(3-methoxybenzoyl)-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESCOc1cccc(C(=O)c2c[nH]c(C(=O)NCc3cccs3)c2)c1
InChIInChI=1S/C18H16N2O3S/c1-23-14-5-2-4-12(8-14)17(21)13-9-16(19-10-13)18(22)20-11-15-6-3-7-24-15/h2-10,19H,11H2,1H3,(H,20,22)
InChIKeyZYPBNCCQVHASKF-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.25
Rot. Bonds6

About 4-(3-methoxybenzoyl)-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide

4-(3-methoxybenzoyl)-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide (PubChem CID 1485201) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is 4-(3-methoxybenzoyl)-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(3-methoxybenzoyl)-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide
PubChem CID1485201
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name4-(3-methoxybenzoyl)-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESCOc1cccc(C(=O)c2c[nH]c(C(=O)NCc3cccs3)c2)c1
InChIInChI=1S/C18H16N2O3S/c1-23-14-5-2-4-12(8-14)17(21)13-9-16(19-10-13)18(22)20-11-15-6-3-7-24-15/h2-10,19H,11H2,1H3,(H,20,22)
InChIKeyZYPBNCCQVHASKF-UHFFFAOYSA-N
XLogP3.25
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxybenzoyl)-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-(3-methoxybenzoyl)-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide (CID 1485201) is 4-(3-methoxybenzoyl)-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-(3-methoxybenzoyl)-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-(3-methoxybenzoyl)-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide is COc1cccc(C(=O)c2c[nH]c(C(=O)NCc3cccs3)c2)c1.
What is the InChIKey of 4-(3-methoxybenzoyl)-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is ZYPBNCCQVHASKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-23-14-5-2-4-12(8-14)17(21)13-9-16(19-10-13)18(22)20-11-15-6-3-7-24-15/h2-10,19H,11H2,1H3,(H,20,22).
What are the key properties of 4-(3-methoxybenzoyl)-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide?
4-(3-methoxybenzoyl)-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxybenzoyl)-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 1485201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).