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

C11H15Br2NOS — CID 80536678

IUPAC4,5-dibromo-N-(4-methylpentan-2-yl)thiophene-2-carboxamide
SMILESCC(C)CC(C)NC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C11H15Br2NOS/c1-6(2)4-7(3)14-11(15)9-5-8(12)10(13)16-9/h5-7H,4H2,1-3H3,(H,14,15)
InChIKeyAGKMLWISPWPXCJ-UHFFFAOYSA-N
MW369.12 g/mol
LogP4.44
Rot. Bonds4

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

4,5-dibromo-N-(4-methylpentan-2-yl)thiophene-2-carboxamide (PubChem CID 80536678) has the molecular formula C11H15Br2NOS and a molecular weight of 369.12 g/mol. Its IUPAC name is 4,5-dibromo-N-(4-methylpentan-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(4-methylpentan-2-yl)thiophene-2-carboxamide
PubChem CID80536678
Molecular FormulaC11H15Br2NOS
Molecular Weight369.12 g/mol
Exact Mass366.92
IUPAC Name4,5-dibromo-N-(4-methylpentan-2-yl)thiophene-2-carboxamide
SMILESCC(C)CC(C)NC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C11H15Br2NOS/c1-6(2)4-7(3)14-11(15)9-5-8(12)10(13)16-9/h5-7H,4H2,1-3H3,(H,14,15)
InChIKeyAGKMLWISPWPXCJ-UHFFFAOYSA-N
XLogP4.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.12
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dibromo-N-(6-methylheptan-2-yl)thiophene-2-carboxamide
CID 71627844
N-(4-amino-4-oxobutan-2-yl)-4,5-dibromothiophene-2-carboxamide
CID 115649755
4,5-dibromo-N-(1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide
CID 112726741
4,5-dibromo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-2-carboxamide
CID 80536486
(2S)-2-[(4,5-dibromothiophene-2-carbonyl)amino]-3-methylbutanoic acid
CID 61136905
2-[(4,5-dibromothiophene-2-carbonyl)amino]-3-methylpentanoic acid
CID 43240005
4,5-dibromo-N-[1-(furan-2-yl)ethyl]thiophene-2-carboxamide
CID 17480059
5-bromo-N-(4-bromobutan-2-yl)-4-methylthiophene-2-carboxamide
CID 83178239
N-[(2S)-1-aminopropan-2-yl]-5-bromo-4-methylthiophene-2-carboxamide;hydrochloride
CID 130662551
4,5-dibromo-N-(1-methoxybutan-2-yl)thiophene-2-carboxamide
CID 78997601
5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-4-methylthiophene-2-carboxamide
CID 79990049
4,5-dibromo-N-[(1S)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]thiophene-2-carboxamide
CID 52513156

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(4-methylpentan-2-yl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-(4-methylpentan-2-yl)thiophene-2-carboxamide (CID 80536678) is 4,5-dibromo-N-(4-methylpentan-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(4-methylpentan-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(4-methylpentan-2-yl)thiophene-2-carboxamide is CC(C)CC(C)NC(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-(4-methylpentan-2-yl)thiophene-2-carboxamide?
The InChIKey is AGKMLWISPWPXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2NOS/c1-6(2)4-7(3)14-11(15)9-5-8(12)10(13)16-9/h5-7H,4H2,1-3H3,(H,14,15).
What are the key properties of 4,5-dibromo-N-(4-methylpentan-2-yl)thiophene-2-carboxamide?
4,5-dibromo-N-(4-methylpentan-2-yl)thiophene-2-carboxamide has a molecular weight of 369.12 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-(4-methylpentan-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 80536678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).