5-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide

C19H22N2O3S — CID 53171113

IUPAC5-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc3c(s2)CN(C2CC2)C3)cc1OC
InChIInChI=1S/C19H22N2O3S/c1-23-15-6-3-12(7-16(15)24-2)9-20-19(22)17-8-13-10-21(14-4-5-14)11-18(13)25-17/h3,6-8,14H,4-5,9-11H2,1-2H3,(H,20,22)
InChIKeyXGSNVLNIEUZDGV-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.17
Rot. Bonds6

About 5-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide

5-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide (PubChem CID 53171113) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
PubChem CID53171113
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name5-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc3c(s2)CN(C2CC2)C3)cc1OC
InChIInChI=1S/C19H22N2O3S/c1-23-15-6-3-12(7-16(15)24-2)9-20-19(22)17-8-13-10-21(14-4-5-14)11-18(13)25-17/h3,6-8,14H,4-5,9-11H2,1-2H3,(H,20,22)
InChIKeyXGSNVLNIEUZDGV-UHFFFAOYSA-N
XLogP3.17
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide with MolForge

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Related Compounds

5-cyclopropyl-N-(pyridin-3-ylmethyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
CID 53171080
N-[(3-ethoxy-4-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 46921237
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 9261556
3-N-cyclopropyl-1-N-[(3,4-dimethoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109050721
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate
CID 7291832
4-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 8852512
N-[(3,4-dimethoxyphenyl)methyl]-3-methylsulfanyl-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 90616129
N-[(4-methoxyphenyl)methyl]-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 53158864
N-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide
CID 110762676
N-[(3,4-dimethoxyphenyl)methyl]-4-hydroxypiperidine-1-carboxamide
CID 38151892
3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 82545918
N-[[4-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55753151

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide (CID 53171113) is 5-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide is COc1ccc(CNC(=O)c2cc3c(s2)CN(C2CC2)C3)cc1OC.
What is the InChIKey of 5-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
The InChIKey is XGSNVLNIEUZDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-23-15-6-3-12(7-16(15)24-2)9-20-19(22)17-8-13-10-21(14-4-5-14)11-18(13)25-17/h3,6-8,14H,4-5,9-11H2,1-2H3,(H,20,22).
What are the key properties of 5-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
5-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide has a molecular weight of 358.46 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide is sourced from PubChem (CID 53171113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).