3-bromo-4-[(2-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide

C19H18BrFN2O2S — CID 93327610

IUPAC3-bromo-4-[(2-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1cc2scc(Br)c2n1Cc1ccccc1F
InChIInChI=1S/C19H18BrFN2O2S/c20-14-11-26-17-8-16(19(24)22-9-13-5-3-7-25-13)23(18(14)17)10-12-4-1-2-6-15(12)21/h1-2,4,6,8,11,13H,3,5,7,9-10H2,(H,22,24)/t13-/m0/s1
InChIKeyDMVFIKTUFYDZNW-ZDUSSCGKSA-N
MW437.33 g/mol
LogP4.56
Rot. Bonds5

About 3-bromo-4-[(2-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide

3-bromo-4-[(2-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 93327610) has the molecular formula C19H18BrFN2O2S and a molecular weight of 437.33 g/mol. Its IUPAC name is 3-bromo-4-[(2-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name3-bromo-4-[(2-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID93327610
Molecular FormulaC19H18BrFN2O2S
Molecular Weight437.33 g/mol
Exact Mass436.03
IUPAC Name3-bromo-4-[(2-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1cc2scc(Br)c2n1Cc1ccccc1F
InChIInChI=1S/C19H18BrFN2O2S/c20-14-11-26-17-8-16(19(24)22-9-13-5-3-7-25-13)23(18(14)17)10-12-4-1-2-6-15(12)21/h1-2,4,6,8,11,13H,3,5,7,9-10H2,(H,22,24)/t13-/m0/s1
InChIKeyDMVFIKTUFYDZNW-ZDUSSCGKSA-N
XLogP4.56
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.33
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-[(2-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46040414
3-bromo-4-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46040431
3-bromo-N-[2-(2-methoxyphenyl)ethyl]-4-[(2-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46040544
N-benzyl-3-bromo-4-[(2-fluorophenyl)methyl]-N-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 46040303
2-(2-fluorophenyl)-4-[(2-fluorophenyl)methyl]-3,5-dioxo-N-(oxolan-2-ylmethyl)-1,2,4-triazine-6-carboxamide
CID 46003806
4-[(2-methoxyphenyl)methyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 93327476
N-[(2-fluorophenyl)methyl]-4-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109206922
1-[(2-fluorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 91956097
4-benzyl-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 93327510
3-bromo-4-[(2-methoxyphenyl)methyl]-N-propan-2-ylthieno[3,2-b]pyrrole-5-carboxamide
CID 46040537
N-[(2-fluorophenyl)methyl]-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109114812
5-[(2-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109184938

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[(2-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 3-bromo-4-[(2-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide (CID 93327610) is 3-bromo-4-[(2-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 3-bromo-4-[(2-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 3-bromo-4-[(2-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide is O=C(NC[C@@H]1CCCO1)c1cc2scc(Br)c2n1Cc1ccccc1F.
What is the InChIKey of 3-bromo-4-[(2-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is DMVFIKTUFYDZNW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H18BrFN2O2S/c20-14-11-26-17-8-16(19(24)22-9-13-5-3-7-25-13)23(18(14)17)10-12-4-1-2-6-15(12)21/h1-2,4,6,8,11,13H,3,5,7,9-10H2,(H,22,24)/t13-/m0/s1.
What are the key properties of 3-bromo-4-[(2-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide?
3-bromo-4-[(2-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 437.33 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[(2-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 93327610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).