4-[(3,4-difluorophenyl)methyl]-N-ethyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide

C17H16F2N2OS — CID 46039675

IUPAC4-[(3,4-difluorophenyl)methyl]-N-ethyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCCNC(=O)c1cc2sc(C)cc2n1Cc1ccc(F)c(F)c1
InChIInChI=1S/C17H16F2N2OS/c1-3-20-17(22)15-8-16-14(6-10(2)23-16)21(15)9-11-4-5-12(18)13(19)7-11/h4-8H,3,9H2,1-2H3,(H,20,22)
InChIKeyLSWVGDWRSWRZCW-UHFFFAOYSA-N
MW334.39 g/mol
LogP4.09
Rot. Bonds4

About 4-[(3,4-difluorophenyl)methyl]-N-ethyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide

4-[(3,4-difluorophenyl)methyl]-N-ethyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 46039675) has the molecular formula C17H16F2N2OS and a molecular weight of 334.39 g/mol. Its IUPAC name is 4-[(3,4-difluorophenyl)methyl]-N-ethyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-[(3,4-difluorophenyl)methyl]-N-ethyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide
PubChem CID46039675
Molecular FormulaC17H16F2N2OS
Molecular Weight334.39 g/mol
Exact Mass334.10
IUPAC Name4-[(3,4-difluorophenyl)methyl]-N-ethyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCCNC(=O)c1cc2sc(C)cc2n1Cc1ccc(F)c(F)c1
InChIInChI=1S/C17H16F2N2OS/c1-3-20-17(22)15-8-16-14(6-10(2)23-16)21(15)9-11-4-5-12(18)13(19)7-11/h4-8H,3,9H2,1-2H3,(H,20,22)
InChIKeyLSWVGDWRSWRZCW-UHFFFAOYSA-N
XLogP4.09
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-((3-Aminophenyl)methyl)-4,6-dihydro-4-methyl-2-(methylsulfinyl)-5H-thieno(2',3':4,5)pyrrolo(2,3-d)pyridazin-5-one
CID 44246499
6-(2-fluorobenzyl)-2,4-dimethyl-4,6-dihydro-5H-thieno(2',3':4,5)pyrrolo(2,3-d)pyridazin-5-one
CID 654376
5-(2-methyl-1h-indol-1-yl)-N-propylthiophene-2-carboxamide
CID 44481106
Methyl-cis-4-(4-(2-(ethyl(m-tolyl)amino)-2-oxoethyl)-4H-thieno[3,2-b]pyrrole-5carboxamido)cyclohexane-1-carboxylate (9)
CID 124155051
10-[(2-Fluorophenyl)methyl]-7-methyl-4-propan-2-yl-3-thia-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
CID 25243733
10-[(2-Fluorophenyl)methyl]-7-methyl-9-oxo-3-thia-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraene-4-carbaldehyde
CID 25243739
10-[(2-Fluorophenyl)methyl]-7-methyl-4-methylsulfanyl-3-thia-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
CID 25243740
4,7-Dimethyl-10-pentyl-3-thia-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
CID 25243765
3-[(2-Fluorophenyl)methyl]-5-methyl-4-thieno[3,4]pyrrolo[1,3-d]pyrimidinone
CID 25243788
6-(trans-4-(4-(2-(Ethyl(m-tolyl)amino)-2-oxoethyl)-4H-thieno[3,2-b]pyrrole-5carboxamido)cyclohexane-1-carboxamido)hexanoic acid (41)
CID 124155006
Sodium 6-(trans-4-(4-(2-(ethyl(m-tolyl)amino)-2-oxoethyl)-4H-thieno[3,2-b]pyrrole-5carboxamido)cyclohexane-1-carboxamido)hexane-1-sulfonate (43)
CID 124155008
trans-Methyl 4-(4-(2-(ethyl(3-ethylphenyl)amino)-2-oxoethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamido)cyclohexanecarboxylate
CID 124155015

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-difluorophenyl)methyl]-N-ethyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-[(3,4-difluorophenyl)methyl]-N-ethyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide (CID 46039675) is 4-[(3,4-difluorophenyl)methyl]-N-ethyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-[(3,4-difluorophenyl)methyl]-N-ethyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-[(3,4-difluorophenyl)methyl]-N-ethyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide is CCNC(=O)c1cc2sc(C)cc2n1Cc1ccc(F)c(F)c1.
What is the InChIKey of 4-[(3,4-difluorophenyl)methyl]-N-ethyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is LSWVGDWRSWRZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2OS/c1-3-20-17(22)15-8-16-14(6-10(2)23-16)21(15)9-11-4-5-12(18)13(19)7-11/h4-8H,3,9H2,1-2H3,(H,20,22).
What are the key properties of 4-[(3,4-difluorophenyl)methyl]-N-ethyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide?
4-[(3,4-difluorophenyl)methyl]-N-ethyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 334.39 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-difluorophenyl)methyl]-N-ethyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 46039675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).