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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Related Compounds

N-[3-(dimethylamino)propyl]-4-(3-methoxybenzoyl)-1H-pyrrole-2-carboxamide
CID 3770688
5-Methyl-N-[(2R)-1-oxo-1-[[(3R)-pyrrolidin-3-yl]amino]-3-[6-[3-(trifluoromethoxy)phenyl]pyridin-3-yl]propan-2-yl]-4-propylthiophene-2-carboxamide
CID 91885438
4-acetyl-N-[(2-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide
CID 1489218
N-(4-methoxyphenyl)-2-[3-(thiophen-2-ylcarbonyl)-1H-indol-1-yl]acetamide
CID 1088994
N-[(2-methoxyphenyl)methyl]-4-(2-methylbenzoyl)-1H-pyrrole-2-carboxamide
CID 1489204
N-Cyclohexyl-2-[(2-1H-indol-3-yl-acetyl)-(3-methoxy-benzyl)-amino]-2-thiophen-2-yl-acetamide
CID 3190924
4-(4-methoxybenzoyl)-N-(2-thienylmethyl)-1H-pyrrole-2-carboxamide
CID 3533224
4-(3-methoxybenzoyl)-N-(3-morpholinopropyl)-1H-pyrrole-2-carboxamide
CID 4302307
N-[(2R)-1-[2-(dimethylamino)ethylamino]-1-oxo-3-[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]propan-2-yl]-5-methyl-4-propylthiophene-2-carboxamide
CID 118722757
4-(3-methoxybenzoyl)-N-(3-pyridinylmethyl)-1H-pyrrole-2-carboxamide
CID 1485186
4-(2-ethylbutanoyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide
CID 3510893
N-[(2-methoxyphenyl)methyl]-4-propanoyl-1H-pyrrole-2-carboxamide
CID 3759696

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).