4,5-dibromo-N-(1-methoxybutan-2-yl)thiophene-2-carboxamide

C10H13Br2NO2S — CID 78997601

IUPAC4,5-dibromo-N-(1-methoxybutan-2-yl)thiophene-2-carboxamide
SMILESCCC(COC)NC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C10H13Br2NO2S/c1-3-6(5-15-2)13-10(14)8-4-7(11)9(12)16-8/h4,6H,3,5H2,1-2H3,(H,13,14)
InChIKeyVCEXXKUTFFSMJG-UHFFFAOYSA-N
MW371.09 g/mol
LogP3.43
Rot. Bonds5

About 4,5-dibromo-N-(1-methoxybutan-2-yl)thiophene-2-carboxamide

4,5-dibromo-N-(1-methoxybutan-2-yl)thiophene-2-carboxamide (PubChem CID 78997601) has the molecular formula C10H13Br2NO2S and a molecular weight of 371.09 g/mol. Its IUPAC name is 4,5-dibromo-N-(1-methoxybutan-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(1-methoxybutan-2-yl)thiophene-2-carboxamide
PubChem CID78997601
Molecular FormulaC10H13Br2NO2S
Molecular Weight371.09 g/mol
Exact Mass368.90
IUPAC Name4,5-dibromo-N-(1-methoxybutan-2-yl)thiophene-2-carboxamide
SMILESCCC(COC)NC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C10H13Br2NO2S/c1-3-6(5-15-2)13-10(14)8-4-7(11)9(12)16-8/h4,6H,3,5H2,1-2H3,(H,13,14)
InChIKeyVCEXXKUTFFSMJG-UHFFFAOYSA-N
XLogP3.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.09
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4,5-dibromothiophene-2-carbonyl)amino]-3-methylpentanoic acid
CID 43240005
4,5-dibromo-N-[2-(2-methoxyethylamino)ethyl]thiophene-2-carboxamide
CID 82994332
methyl (2S)-2-[(4,5-dibromothiophene-2-carbonyl)amino]-3,3-dimethylbutanoate
CID 110191726
4,5-dibromo-N-(4-methylpentan-2-yl)thiophene-2-carboxamide
CID 80536678
4,5-dibromo-N-(2-methoxyethyl)-N-pentan-3-ylthiophene-2-carboxamide
CID 113222390
N-(4-amino-4-oxobutan-2-yl)-4,5-dibromothiophene-2-carboxamide
CID 115649755
4,5-dibromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]thiophene-2-carboxamide
CID 103800012
4,5-dibromo-N-(6-methylheptan-2-yl)thiophene-2-carboxamide
CID 71627844
3-[[(4,5-dibromothiophene-2-carbonyl)amino]methyl]pentanoic acid
CID 81064342
5-bromo-N-(1-methoxy-3-methylbutan-2-yl)-4-methylthiophene-2-carboxamide
CID 79947234
5-bromo-N-(1-methoxybutan-2-yl)-2-methylbenzamide
CID 65311170
(2S)-2-[(4,5-dibromothiophene-2-carbonyl)amino]-3-methylbutanoic acid
CID 61136905

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(1-methoxybutan-2-yl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-(1-methoxybutan-2-yl)thiophene-2-carboxamide (CID 78997601) is 4,5-dibromo-N-(1-methoxybutan-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(1-methoxybutan-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(1-methoxybutan-2-yl)thiophene-2-carboxamide is CCC(COC)NC(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-(1-methoxybutan-2-yl)thiophene-2-carboxamide?
The InChIKey is VCEXXKUTFFSMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2NO2S/c1-3-6(5-15-2)13-10(14)8-4-7(11)9(12)16-8/h4,6H,3,5H2,1-2H3,(H,13,14).
What are the key properties of 4,5-dibromo-N-(1-methoxybutan-2-yl)thiophene-2-carboxamide?
4,5-dibromo-N-(1-methoxybutan-2-yl)thiophene-2-carboxamide has a molecular weight of 371.09 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-(1-methoxybutan-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 78997601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).