4-benzoyl-N-(4-chlorophenyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide

C20H15ClN2O2S — CID 97442321

IUPAC4-benzoyl-N-(4-chlorophenyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc2c(s1)CCN2C(=O)c1ccccc1
InChIInChI=1S/C20H15ClN2O2S/c21-14-6-8-15(9-7-14)22-19(24)18-12-16-17(26-18)10-11-23(16)20(25)13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,22,24)
InChIKeyLRPJQYJWMHWXQI-UHFFFAOYSA-N
MW382.87 g/mol
LogP4.86
Rot. Bonds3

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

4-benzoyl-N-(4-chlorophenyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide (PubChem CID 97442321) has the molecular formula C20H15ClN2O2S and a molecular weight of 382.87 g/mol. Its IUPAC name is 4-benzoyl-N-(4-chlorophenyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-benzoyl-N-(4-chlorophenyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide
PubChem CID97442321
Molecular FormulaC20H15ClN2O2S
Molecular Weight382.87 g/mol
Exact Mass382.05
IUPAC Name4-benzoyl-N-(4-chlorophenyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc2c(s1)CCN2C(=O)c1ccccc1
InChIInChI=1S/C20H15ClN2O2S/c21-14-6-8-15(9-7-14)22-19(24)18-12-16-17(26-18)10-11-23(16)20(25)13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,22,24)
InChIKeyLRPJQYJWMHWXQI-UHFFFAOYSA-N
XLogP4.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-4-(pyridine-3-carbonyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide
CID 97407183
4-(4-fluorobenzoyl)-N-(2-fluorophenyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide
CID 97407190
4-benzoyl-N-propyl-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide
CID 97442309
4-benzoyl-N-[(3-fluorophenyl)methyl]-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide
CID 97442314
1-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-(4-chlorophenyl)urea
CID 30372487
N-[4-(2-chloro-5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]-4-methylbenzamide
CID 142627630
N-(4-chlorophenyl)-5-(2,3-dihydroindole-1-carbonyl)pyridine-3-carboxamide
CID 109108143
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-carboxamide
CID 27557595
N-(4-chlorophenyl)benzamide;hydrochloride
CID 139912610
1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-phenylurea
CID 46384404
2,5-dichloro-N-[4-(6,7-dihydropyrrolo[1,2-a][1,5]benzodiazepine-5-carbonyl)phenyl]benzamide
CID 57071075
N-(3,4-difluorophenyl)-4-(2,3-dihydroindole-1-carbonyl)benzamide
CID 109049570

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-N-(4-chlorophenyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide?
The IUPAC name of 4-benzoyl-N-(4-chlorophenyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide (CID 97442321) is 4-benzoyl-N-(4-chlorophenyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide.
What is the SMILES notation for 4-benzoyl-N-(4-chlorophenyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide?
The canonical SMILES for 4-benzoyl-N-(4-chlorophenyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide is O=C(Nc1ccc(Cl)cc1)c1cc2c(s1)CCN2C(=O)c1ccccc1.
What is the InChIKey of 4-benzoyl-N-(4-chlorophenyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide?
The InChIKey is LRPJQYJWMHWXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O2S/c21-14-6-8-15(9-7-14)22-19(24)18-12-16-17(26-18)10-11-23(16)20(25)13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,22,24).
What are the key properties of 4-benzoyl-N-(4-chlorophenyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide?
4-benzoyl-N-(4-chlorophenyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide has a molecular weight of 382.87 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N-(4-chlorophenyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide is sourced from PubChem (CID 97442321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).