4,5-dibromo-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-carboxamide

C10H11Br2NO2S — CID 25402358

IUPAC4,5-dibromo-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1cc(Br)c(Br)s1
InChIInChI=1S/C10H11Br2NO2S/c11-7-4-8(16-9(7)12)10(14)13-5-6-2-1-3-15-6/h4,6H,1-3,5H2,(H,13,14)/t6-/m0/s1
InChIKeyDSUIACUGYRAPGO-LURJTMIESA-N
MW369.08 g/mol
LogP3.18
Rot. Bonds3

About 4,5-dibromo-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-carboxamide

4,5-dibromo-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-carboxamide (PubChem CID 25402358) has the molecular formula C10H11Br2NO2S and a molecular weight of 369.08 g/mol. Its IUPAC name is 4,5-dibromo-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-carboxamide
PubChem CID25402358
Molecular FormulaC10H11Br2NO2S
Molecular Weight369.08 g/mol
Exact Mass366.89
IUPAC Name4,5-dibromo-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1cc(Br)c(Br)s1
InChIInChI=1S/C10H11Br2NO2S/c11-7-4-8(16-9(7)12)10(14)13-5-6-2-1-3-15-6/h4,6H,1-3,5H2,(H,13,14)/t6-/m0/s1
InChIKeyDSUIACUGYRAPGO-LURJTMIESA-N
XLogP3.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.08
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-5-ethyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 17173841
4,5-dibromo-N-[3-(oxolan-2-ylmethoxy)propyl]thiophene-2-carboxamide
CID 78912774
4,5-dibromo-N-[(4-ethylmorpholin-2-yl)methyl]thiophene-2-carboxamide
CID 115629840
4,5-dibromo-N-[[2-(bromomethyl)cyclopentyl]methyl]thiophene-2-carboxamide
CID 113276196
5-(aminomethyl)-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 82171991
2-amino-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 82171903
4-methyl-N-(oxolan-2-ylmethyl)-5-phenylthiophene-2-carboxamide
CID 17174245
2-tert-butyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 47398499
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 912572
5-bromo-N-(oxolan-2-ylmethyl)-4-sulfamoylfuran-2-carboxamide
CID 65374946
2,4,6-trimethyl-1-N,3-N-bis(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 3519038
2,4,5-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95970650

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-carboxamide (CID 25402358) is 4,5-dibromo-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-carboxamide is O=C(NC[C@@H]1CCCO1)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-carboxamide?
The InChIKey is DSUIACUGYRAPGO-LURJTMIESA-N. The full InChI is InChI=1S/C10H11Br2NO2S/c11-7-4-8(16-9(7)12)10(14)13-5-6-2-1-3-15-6/h4,6H,1-3,5H2,(H,13,14)/t6-/m0/s1.
What are the key properties of 4,5-dibromo-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-carboxamide?
4,5-dibromo-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-carboxamide has a molecular weight of 369.08 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 25402358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).