4,5-dibromo-N-(6-methylheptan-2-yl)thiophene-2-carboxamide

C13H19Br2NOS — CID 71627844

IUPAC4,5-dibromo-N-(6-methylheptan-2-yl)thiophene-2-carboxamide
SMILESCC(C)CCCC(C)NC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C13H19Br2NOS/c1-8(2)5-4-6-9(3)16-13(17)11-7-10(14)12(15)18-11/h7-9H,4-6H2,1-3H3,(H,16,17)
InChIKeySVCZCUOUPXUJOJ-UHFFFAOYSA-N
MW397.18 g/mol
LogP5.22
Rot. Bonds6

About 4,5-dibromo-N-(6-methylheptan-2-yl)thiophene-2-carboxamide

4,5-dibromo-N-(6-methylheptan-2-yl)thiophene-2-carboxamide (PubChem CID 71627844) has the molecular formula C13H19Br2NOS and a molecular weight of 397.18 g/mol. Its IUPAC name is 4,5-dibromo-N-(6-methylheptan-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(6-methylheptan-2-yl)thiophene-2-carboxamide
PubChem CID71627844
Molecular FormulaC13H19Br2NOS
Molecular Weight397.18 g/mol
Exact Mass394.96
IUPAC Name4,5-dibromo-N-(6-methylheptan-2-yl)thiophene-2-carboxamide
SMILESCC(C)CCCC(C)NC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C13H19Br2NOS/c1-8(2)5-4-6-9(3)16-13(17)11-7-10(14)12(15)18-11/h7-9H,4-6H2,1-3H3,(H,16,17)
InChIKeySVCZCUOUPXUJOJ-UHFFFAOYSA-N
XLogP5.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.18
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dibromo-N-(4-methylpentan-2-yl)thiophene-2-carboxamide
CID 80536678
N-(4-amino-4-oxobutan-2-yl)-4,5-dibromothiophene-2-carboxamide
CID 115649755
4,5-dibromo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-2-carboxamide
CID 80536486
4,5-dibromo-N-(1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide
CID 112726741
(2S)-2-[(4,5-dibromothiophene-2-carbonyl)amino]-3-methylbutanoic acid
CID 61136905
5-bromo-N-(4-bromobutan-2-yl)-4-methylthiophene-2-carboxamide
CID 83178239
2-[(4,5-dibromothiophene-2-carbonyl)amino]-3-methylpentanoic acid
CID 43240005
3-amino-5-bromo-2-methyl-N-(6-methylheptan-2-yl)benzamide
CID 107872350
5-bromo-N-(4-methoxybutan-2-yl)-4-methylthiophene-2-carboxamide
CID 79936109
5-bromo-N-[1-(dimethylamino)propan-2-yl]-4-methylthiophene-2-carboxamide
CID 82939691
5-(3-hydroxyprop-1-ynyl)-4-methyl-N-(6-methylheptan-2-yl)thiophene-2-carboxamide
CID 79977484
N-[(2S)-1-aminopropan-2-yl]-5-bromo-4-methylthiophene-2-carboxamide;hydrochloride
CID 130662551

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(6-methylheptan-2-yl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-(6-methylheptan-2-yl)thiophene-2-carboxamide (CID 71627844) is 4,5-dibromo-N-(6-methylheptan-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(6-methylheptan-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(6-methylheptan-2-yl)thiophene-2-carboxamide is CC(C)CCCC(C)NC(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-(6-methylheptan-2-yl)thiophene-2-carboxamide?
The InChIKey is SVCZCUOUPXUJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Br2NOS/c1-8(2)5-4-6-9(3)16-13(17)11-7-10(14)12(15)18-11/h7-9H,4-6H2,1-3H3,(H,16,17).
What are the key properties of 4,5-dibromo-N-(6-methylheptan-2-yl)thiophene-2-carboxamide?
4,5-dibromo-N-(6-methylheptan-2-yl)thiophene-2-carboxamide has a molecular weight of 397.18 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-(6-methylheptan-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 71627844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).