4-benzoyl-N-propyl-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide

C17H18N2O2S — CID 97442309

IUPAC4-benzoyl-N-propyl-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide
SMILESCCCNC(=O)c1cc2c(s1)CCN2C(=O)c1ccccc1
InChIInChI=1S/C17H18N2O2S/c1-2-9-18-16(20)15-11-13-14(22-15)8-10-19(13)17(21)12-6-4-3-5-7-12/h3-7,11H,2,8-10H2,1H3,(H,18,20)
InChIKeyAWBOUSNCINXEDE-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.09
Rot. Bonds4

About 4-benzoyl-N-propyl-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide

4-benzoyl-N-propyl-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide (PubChem CID 97442309) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 4-benzoyl-N-propyl-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-benzoyl-N-propyl-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide
PubChem CID97442309
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name4-benzoyl-N-propyl-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide
SMILESCCCNC(=O)c1cc2c(s1)CCN2C(=O)c1ccccc1
InChIInChI=1S/C17H18N2O2S/c1-2-9-18-16(20)15-11-13-14(22-15)8-10-19(13)17(21)12-6-4-3-5-7-12/h3-7,11H,2,8-10H2,1H3,(H,18,20)
InChIKeyAWBOUSNCINXEDE-UHFFFAOYSA-N
XLogP3.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzoyl-N-[(3-fluorophenyl)methyl]-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide
CID 97442314
4-benzoyl-N-(4-chlorophenyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide
CID 97442321
4-(4-fluorobenzoyl)-N-(2-fluorophenyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide
CID 97407190
4-(pyridine-3-carbonyl)-N-(pyridin-2-ylmethyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide
CID 97407182
4-(cyclopropanecarbonyl)-N-(2-pyridin-2-ylethyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide
CID 97442346
1-(4-fluorobenzoyl)-N-propyl-2,3-dihydroindole-6-carboxamide
CID 53160350
5-propanoyl-N-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 53158844
7-benzoyl-N-propyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide
CID 71447982
4-(2,3-dihydroindole-1-carbonyl)-N-(2-phenylethyl)benzamide
CID 109047845
5-(2,3-dihydroindol-1-yl)-N-propylthiophene-2-carboxamide
CID 20940563
4-(cyclopropanecarbonyl)-N-[(3-methoxyphenyl)methyl]-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide
CID 97407211
N-butyl-4-(3,4-dihydro-2H-quinoline-1-carbonyl)benzamide
CID 109043735

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-N-propyl-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide?
The IUPAC name of 4-benzoyl-N-propyl-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide (CID 97442309) is 4-benzoyl-N-propyl-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide.
What is the SMILES notation for 4-benzoyl-N-propyl-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide?
The canonical SMILES for 4-benzoyl-N-propyl-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide is CCCNC(=O)c1cc2c(s1)CCN2C(=O)c1ccccc1.
What is the InChIKey of 4-benzoyl-N-propyl-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide?
The InChIKey is AWBOUSNCINXEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-2-9-18-16(20)15-11-13-14(22-15)8-10-19(13)17(21)12-6-4-3-5-7-12/h3-7,11H,2,8-10H2,1H3,(H,18,20).
What are the key properties of 4-benzoyl-N-propyl-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide?
4-benzoyl-N-propyl-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N-propyl-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide is sourced from PubChem (CID 97442309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).