N-(4-amino-4-oxobutan-2-yl)-4,5-dibromothiophene-2-carboxamide

C9H10Br2N2O2S — CID 115649755

IUPACN-(4-amino-4-oxobutan-2-yl)-4,5-dibromothiophene-2-carboxamide
SMILESCC(CC(N)=O)NC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C9H10Br2N2O2S/c1-4(2-7(12)14)13-9(15)6-3-5(10)8(11)16-6/h3-4H,2H2,1H3,(H2,12,14)(H,13,15)
InChIKeyBHNHDPMCNYNUFH-UHFFFAOYSA-N
MW370.07 g/mol
LogP2.27
Rot. Bonds4

About N-(4-amino-4-oxobutan-2-yl)-4,5-dibromothiophene-2-carboxamide

N-(4-amino-4-oxobutan-2-yl)-4,5-dibromothiophene-2-carboxamide (PubChem CID 115649755) has the molecular formula C9H10Br2N2O2S and a molecular weight of 370.07 g/mol. Its IUPAC name is N-(4-amino-4-oxobutan-2-yl)-4,5-dibromothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-4-oxobutan-2-yl)-4,5-dibromothiophene-2-carboxamide
PubChem CID115649755
Molecular FormulaC9H10Br2N2O2S
Molecular Weight370.07 g/mol
Exact Mass367.88
IUPAC NameN-(4-amino-4-oxobutan-2-yl)-4,5-dibromothiophene-2-carboxamide
SMILESCC(CC(N)=O)NC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C9H10Br2N2O2S/c1-4(2-7(12)14)13-9(15)6-3-5(10)8(11)16-6/h3-4H,2H2,1H3,(H2,12,14)(H,13,15)
InChIKeyBHNHDPMCNYNUFH-UHFFFAOYSA-N
XLogP2.27
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.07
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dibromo-N-(4-methylpentan-2-yl)thiophene-2-carboxamide
CID 80536678
4,5-dibromo-N-(6-methylheptan-2-yl)thiophene-2-carboxamide
CID 71627844
N-(2-amino-2-oxoethyl)-4,5-dibromothiophene-2-carboxamide
CID 60668533
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
N-(2-amino-2-oxoethoxy)-4,5-dibromothiophene-2-carboxamide
CID 112551114
N-(4-amino-4-oxobutan-2-yl)-4-bromo-1-methylpyrrole-2-carboxamide
CID 115666649
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-[4-(carbamoylamino)phenyl]ethyl]thiophene-2-carboxamide
CID 71684807

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-oxobutan-2-yl)-4,5-dibromothiophene-2-carboxamide?
The IUPAC name of N-(4-amino-4-oxobutan-2-yl)-4,5-dibromothiophene-2-carboxamide (CID 115649755) is N-(4-amino-4-oxobutan-2-yl)-4,5-dibromothiophene-2-carboxamide.
What is the SMILES notation for N-(4-amino-4-oxobutan-2-yl)-4,5-dibromothiophene-2-carboxamide?
The canonical SMILES for N-(4-amino-4-oxobutan-2-yl)-4,5-dibromothiophene-2-carboxamide is CC(CC(N)=O)NC(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of N-(4-amino-4-oxobutan-2-yl)-4,5-dibromothiophene-2-carboxamide?
The InChIKey is BHNHDPMCNYNUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Br2N2O2S/c1-4(2-7(12)14)13-9(15)6-3-5(10)8(11)16-6/h3-4H,2H2,1H3,(H2,12,14)(H,13,15).
What are the key properties of N-(4-amino-4-oxobutan-2-yl)-4,5-dibromothiophene-2-carboxamide?
N-(4-amino-4-oxobutan-2-yl)-4,5-dibromothiophene-2-carboxamide has a molecular weight of 370.07 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-oxobutan-2-yl)-4,5-dibromothiophene-2-carboxamide is sourced from PubChem (CID 115649755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).