N-(3,4-dimethoxyphenyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide

C20H22N2O3S — CID 17446637

IUPACN-(3,4-dimethoxyphenyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C)n(Cc3cccs3)c2C)cc1OC
InChIInChI=1S/C20H22N2O3S/c1-13-10-17(14(2)22(13)12-16-6-5-9-26-16)20(23)21-15-7-8-18(24-3)19(11-15)25-4/h5-11H,12H2,1-4H3,(H,21,23)
InChIKeyDOAIREAIKRFSRW-UHFFFAOYSA-N
MW370.47 g/mol
LogP4.48
Rot. Bonds6

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

N-(3,4-dimethoxyphenyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide (PubChem CID 17446637) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
PubChem CID17446637
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN-(3,4-dimethoxyphenyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C)n(Cc3cccs3)c2C)cc1OC
InChIInChI=1S/C20H22N2O3S/c1-13-10-17(14(2)22(13)12-16-6-5-9-26-16)20(23)21-15-7-8-18(24-3)19(11-15)25-4/h5-11H,12H2,1-4H3,(H,21,23)
InChIKeyDOAIREAIKRFSRW-UHFFFAOYSA-N
XLogP4.48
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methoxy-5-(methylcarbamoyl)phenyl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 87045786
methyl 3-(3,4-dimethoxyphenyl)-3-[[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carbonyl]amino]propanoate
CID 55471991
[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl] 3,4-dimethoxybenzoate
CID 8011058
2,5-dimethyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 56585371
N'-benzoyl-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carbohydrazide
CID 78806087
N-[2-(ethoxymethyl)phenyl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 86822596
2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]ethanone
CID 4797454
[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylate
CID 30791814
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-[(4-methylcyclohexyl)methyl]-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 142228295
2,5-dimethyl-N-(2H-tetrazol-5-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 166201437

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide (CID 17446637) is N-(3,4-dimethoxyphenyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide is COc1ccc(NC(=O)c2cc(C)n(Cc3cccs3)c2C)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide?
The InChIKey is DOAIREAIKRFSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-13-10-17(14(2)22(13)12-16-6-5-9-26-16)20(23)21-15-7-8-18(24-3)19(11-15)25-4/h5-11H,12H2,1-4H3,(H,21,23).
What are the key properties of N-(3,4-dimethoxyphenyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide?
N-(3,4-dimethoxyphenyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide has a molecular weight of 370.47 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 17446637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).