N-(5-ethyl-3-methylimidazol-4-yl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide

C18H22N4OS — CID 71873193

IUPACN-(5-ethyl-3-methylimidazol-4-yl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
SMILESCCc1ncn(C)c1NC(=O)c1cc(C)n(Cc2cccs2)c1C
InChIInChI=1S/C18H22N4OS/c1-5-16-17(21(4)11-19-16)20-18(23)15-9-12(2)22(13(15)3)10-14-7-6-8-24-14/h6-9,11H,5,10H2,1-4H3,(H,20,23)
InChIKeyMVLCGNCSPIWUKT-UHFFFAOYSA-N
MW342.47 g/mol
LogP3.76
Rot. Bonds5

About N-(5-ethyl-3-methylimidazol-4-yl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide

N-(5-ethyl-3-methylimidazol-4-yl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide (PubChem CID 71873193) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is N-(5-ethyl-3-methylimidazol-4-yl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-3-methylimidazol-4-yl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
PubChem CID71873193
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC NameN-(5-ethyl-3-methylimidazol-4-yl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
SMILESCCc1ncn(C)c1NC(=O)c1cc(C)n(Cc2cccs2)c1C
InChIInChI=1S/C18H22N4OS/c1-5-16-17(21(4)11-19-16)20-18(23)15-9-12(2)22(13(15)3)10-14-7-6-8-24-14/h6-9,11H,5,10H2,1-4H3,(H,20,23)
InChIKeyMVLCGNCSPIWUKT-UHFFFAOYSA-N
XLogP3.76
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-benzoyl-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carbohydrazide
CID 78806087
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 55380922
N-(3,4-dimethoxyphenyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 17446637
N-[2-(ethoxymethyl)phenyl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 86822596
2,5-dimethyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 56585371
N-[(2,5-dimethylfuran-3-yl)methyl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 86951558
N-(1-adamantyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 55381187
N-(3-hydroxybutyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 111428991
2,5-dimethyl-N-(2H-tetrazol-5-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 166201437
N-(furan-2-ylmethyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 78805100
N-(3-butoxypropyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 134031591
1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 2515001

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-3-methylimidazol-4-yl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide?
The IUPAC name of N-(5-ethyl-3-methylimidazol-4-yl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide (CID 71873193) is N-(5-ethyl-3-methylimidazol-4-yl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide.
What is the SMILES notation for N-(5-ethyl-3-methylimidazol-4-yl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide?
The canonical SMILES for N-(5-ethyl-3-methylimidazol-4-yl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide is CCc1ncn(C)c1NC(=O)c1cc(C)n(Cc2cccs2)c1C.
What is the InChIKey of N-(5-ethyl-3-methylimidazol-4-yl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide?
The InChIKey is MVLCGNCSPIWUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4OS/c1-5-16-17(21(4)11-19-16)20-18(23)15-9-12(2)22(13(15)3)10-14-7-6-8-24-14/h6-9,11H,5,10H2,1-4H3,(H,20,23).
What are the key properties of N-(5-ethyl-3-methylimidazol-4-yl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide?
N-(5-ethyl-3-methylimidazol-4-yl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide has a molecular weight of 342.47 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-3-methylimidazol-4-yl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 71873193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).