N-(1-amino-2,4-dimethylpentan-2-yl)-2,5-dibromothiophene-3-carboxamide

C12H18Br2N2OS — CID 103807196

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-2,5-dibromothiophene-3-carboxamide
SMILESCC(C)CC(C)(CN)NC(=O)c1cc(Br)sc1Br
InChIInChI=1S/C12H18Br2N2OS/c1-7(2)5-12(3,6-15)16-11(17)8-4-9(13)18-10(8)14/h4,7H,5-6,15H2,1-3H3,(H,16,17)
InChIKeyFEPXVFLAJZSQGM-UHFFFAOYSA-N
MW398.16 g/mol
LogP3.77
Rot. Bonds5

About N-(1-amino-2,4-dimethylpentan-2-yl)-2,5-dibromothiophene-3-carboxamide

N-(1-amino-2,4-dimethylpentan-2-yl)-2,5-dibromothiophene-3-carboxamide (PubChem CID 103807196) has the molecular formula C12H18Br2N2OS and a molecular weight of 398.16 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-2,5-dibromothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-2,5-dibromothiophene-3-carboxamide
PubChem CID103807196
Molecular FormulaC12H18Br2N2OS
Molecular Weight398.16 g/mol
Exact Mass395.95
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-2,5-dibromothiophene-3-carboxamide
SMILESCC(C)CC(C)(CN)NC(=O)c1cc(Br)sc1Br
InChIInChI=1S/C12H18Br2N2OS/c1-7(2)5-12(3,6-15)16-11(17)8-4-9(13)18-10(8)14/h4,7H,5-6,15H2,1-3H3,(H,16,17)
InChIKeyFEPXVFLAJZSQGM-UHFFFAOYSA-N
XLogP3.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.16
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 40012378
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2,5-dibromo-N-(4,4,4-trifluorobutan-2-yl)thiophene-3-carboxamide
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2,5-dibromo-N-(6-bromohexyl)thiophene-3-carboxamide
CID 107966471
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CID 33383602
5-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylthiophene-3-carboxamide
CID 37094409
5-bromo-N-tert-butylthiophene-3-carboxamide
CID 37132948
5-bromo-N-[2-(methylamino)-2-oxoethyl]thiophene-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2,5-dibromothiophene-3-carboxamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2,5-dibromothiophene-3-carboxamide (CID 103807196) is N-(1-amino-2,4-dimethylpentan-2-yl)-2,5-dibromothiophene-3-carboxamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-2,5-dibromothiophene-3-carboxamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-2,5-dibromothiophene-3-carboxamide is CC(C)CC(C)(CN)NC(=O)c1cc(Br)sc1Br.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-2,5-dibromothiophene-3-carboxamide?
The InChIKey is FEPXVFLAJZSQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Br2N2OS/c1-7(2)5-12(3,6-15)16-11(17)8-4-9(13)18-10(8)14/h4,7H,5-6,15H2,1-3H3,(H,16,17).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-2,5-dibromothiophene-3-carboxamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-2,5-dibromothiophene-3-carboxamide has a molecular weight of 398.16 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-2,5-dibromothiophene-3-carboxamide is sourced from PubChem (CID 103807196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).