N-(3-methoxyphenyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide

C19H20N2O2S — CID 2742287

IUPACN-(3-methoxyphenyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(C)n(Cc3cccs3)c2C)c1
InChIInChI=1S/C19H20N2O2S/c1-13-10-18(14(2)21(13)12-17-8-5-9-24-17)19(22)20-15-6-4-7-16(11-15)23-3/h4-11H,12H2,1-3H3,(H,20,22)
InChIKeyHVNKLTQXQGLAEP-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.48
Rot. Bonds5

About N-(3-methoxyphenyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide

N-(3-methoxyphenyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide (PubChem CID 2742287) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
PubChem CID2742287
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC NameN-(3-methoxyphenyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(C)n(Cc3cccs3)c2C)c1
InChIInChI=1S/C19H20N2O2S/c1-13-10-18(14(2)21(13)12-17-8-5-9-24-17)19(22)20-15-6-4-7-16(11-15)23-3/h4-11H,12H2,1-3H3,(H,20,22)
InChIKeyHVNKLTQXQGLAEP-UHFFFAOYSA-N
XLogP4.48
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide (CID 2742287) is N-(3-methoxyphenyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide is COc1cccc(NC(=O)c2cc(C)n(Cc3cccs3)c2C)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide?
The InChIKey is HVNKLTQXQGLAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-13-10-18(14(2)21(13)12-17-8-5-9-24-17)19(22)20-15-6-4-7-16(11-15)23-3/h4-11H,12H2,1-3H3,(H,20,22).
What are the key properties of N-(3-methoxyphenyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide?
N-(3-methoxyphenyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 2742287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).