4,5-dibromo-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide

C10H11Br2NO2S — CID 17404815

IUPAC4,5-dibromo-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCC1CCCO1)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)
InChIKeyDSUIACUGYRAPGO-UHFFFAOYSA-N
MW369.08 g/mol
LogP3.18
Rot. Bonds3

About 4,5-dibromo-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide

4,5-dibromo-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 17404815) has the molecular formula C10H11Br2NO2S and a molecular weight of 369.08 g/mol. Its IUPAC name is 4,5-dibromo-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
PubChem CID17404815
Molecular FormulaC10H11Br2NO2S
Molecular Weight369.08 g/mol
Exact Mass366.89
IUPAC Name4,5-dibromo-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCC1CCCO1)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)
InChIKeyDSUIACUGYRAPGO-UHFFFAOYSA-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

Thiophene-2-carboxamide, N-tetrahydrofurfuryl-
CID 531922
Ethyl (5-bromothiophene-2-carbonyl)glycinate
CID 2225106
4-bromo-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide
CID 6464670
5-bromo-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 2225398
5-bromo-N-[4-[(5-bromothiophene-2-carbonyl)amino]butyl]thiophene-2-carboxamide
CID 2309203
(4,5-Dibromothiophen-2-yl)-morpholin-4-ylmethanone
CID 24979897
4-bromo-5-ethyl-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide
CID 2971430
5-Bromo-N-((tetrahydrofuran-2-yl)methyl)thiophene-2-carboxamide
CID 17191115
(4,5-Dibromothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 25161803
5-bromo-N-[1-(tetrahydro-2-furanyl)ethyl]-2-thiophenecarboxamide
CID 2971594
4-bromo-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 2225534
N-{[(R)-3-methoxytetrahydro-3-thienyl]methyl}-4-bromo-2-thenamide
CID 100701966

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide (CID 17404815) is 4,5-dibromo-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide is O=C(NCC1CCCO1)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is DSUIACUGYRAPGO-UHFFFAOYSA-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).
What are the key properties of 4,5-dibromo-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide?
4,5-dibromo-N-(oxolan-2-ylmethyl)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-(oxolan-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 17404815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).