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

C21H17FN2O2S — CID 97442314

IUPAC4-benzoyl-N-[(3-fluorophenyl)methyl]-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide
SMILESO=C(NCc1cccc(F)c1)c1cc2c(s1)CCN2C(=O)c1ccccc1
InChIInChI=1S/C21H17FN2O2S/c22-16-8-4-5-14(11-16)13-23-20(25)19-12-17-18(27-19)9-10-24(17)21(26)15-6-2-1-3-7-15/h1-8,11-12H,9-10,13H2,(H,23,25)
InChIKeyDVKFNYKYVOKHTJ-UHFFFAOYSA-N
MW380.44 g/mol
LogP4.02
Rot. Bonds4

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

4-benzoyl-N-[(3-fluorophenyl)methyl]-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide (PubChem CID 97442314) has the molecular formula C21H17FN2O2S and a molecular weight of 380.44 g/mol. Its IUPAC name is 4-benzoyl-N-[(3-fluorophenyl)methyl]-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-benzoyl-N-[(3-fluorophenyl)methyl]-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide
PubChem CID97442314
Molecular FormulaC21H17FN2O2S
Molecular Weight380.44 g/mol
Exact Mass380.10
IUPAC Name4-benzoyl-N-[(3-fluorophenyl)methyl]-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide
SMILESO=C(NCc1cccc(F)c1)c1cc2c(s1)CCN2C(=O)c1ccccc1
InChIInChI=1S/C21H17FN2O2S/c22-16-8-4-5-14(11-16)13-23-20(25)19-12-17-18(27-19)9-10-24(17)21(26)15-6-2-1-3-7-15/h1-8,11-12H,9-10,13H2,(H,23,25)
InChIKeyDVKFNYKYVOKHTJ-UHFFFAOYSA-N
XLogP4.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzoyl-N-propyl-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide
CID 97442309
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-benzoyl-N-(4-chlorophenyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide
CID 97442321
4-(cyclopropanecarbonyl)-N-[(3-methoxyphenyl)methyl]-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide
CID 97407211
5-benzoyl-N-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 53158913
3-[[(3-fluorobenzoyl)amino]methyl]benzoic acid
CID 60893305
N-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-fluorobenzenesulfonamide
CID 53102675
3-[5-[(3-fluorophenyl)methylcarbamoyl]thiophen-2-yl]prop-2-enoic acid
CID 76907094
N-[[4-(6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide
CID 55761009
N-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-5-bromofuran-2-carboxamide
CID 53043824
N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide
CID 53093738

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-N-[(3-fluorophenyl)methyl]-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide?
The IUPAC name of 4-benzoyl-N-[(3-fluorophenyl)methyl]-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide (CID 97442314) is 4-benzoyl-N-[(3-fluorophenyl)methyl]-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide.
What is the SMILES notation for 4-benzoyl-N-[(3-fluorophenyl)methyl]-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide?
The canonical SMILES for 4-benzoyl-N-[(3-fluorophenyl)methyl]-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide is O=C(NCc1cccc(F)c1)c1cc2c(s1)CCN2C(=O)c1ccccc1.
What is the InChIKey of 4-benzoyl-N-[(3-fluorophenyl)methyl]-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide?
The InChIKey is DVKFNYKYVOKHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O2S/c22-16-8-4-5-14(11-16)13-23-20(25)19-12-17-18(27-19)9-10-24(17)21(26)15-6-2-1-3-7-15/h1-8,11-12H,9-10,13H2,(H,23,25).
What are the key properties of 4-benzoyl-N-[(3-fluorophenyl)methyl]-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide?
4-benzoyl-N-[(3-fluorophenyl)methyl]-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide has a molecular weight of 380.44 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N-[(3-fluorophenyl)methyl]-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide is sourced from PubChem (CID 97442314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).