N-(1-amino-4-methylpentan-2-yl)-4-bromothiophene-2-carboxamide

C11H17BrN2OS — CID 119585627

IUPACN-(1-amino-4-methylpentan-2-yl)-4-bromothiophene-2-carboxamide
SMILESCC(C)CC(CN)NC(=O)c1cc(Br)cs1
InChIInChI=1S/C11H17BrN2OS/c1-7(2)3-9(5-13)14-11(15)10-4-8(12)6-16-10/h4,6-7,9H,3,5,13H2,1-2H3,(H,14,15)
InChIKeyXZDLBCCZHILZFY-UHFFFAOYSA-N
MW305.24 g/mol
LogP2.61
Rot. Bonds5

About N-(1-amino-4-methylpentan-2-yl)-4-bromothiophene-2-carboxamide

N-(1-amino-4-methylpentan-2-yl)-4-bromothiophene-2-carboxamide (PubChem CID 119585627) has the molecular formula C11H17BrN2OS and a molecular weight of 305.24 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-4-bromothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-4-bromothiophene-2-carboxamide
PubChem CID119585627
Molecular FormulaC11H17BrN2OS
Molecular Weight305.24 g/mol
Exact Mass304.02
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-4-bromothiophene-2-carboxamide
SMILESCC(C)CC(CN)NC(=O)c1cc(Br)cs1
InChIInChI=1S/C11H17BrN2OS/c1-7(2)3-9(5-13)14-11(15)10-4-8(12)6-16-10/h4,6-7,9H,3,5,13H2,1-2H3,(H,14,15)
InChIKeyXZDLBCCZHILZFY-UHFFFAOYSA-N
XLogP2.61
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.24
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-4-(methylsulfamoyl)thiophene-2-carboxamide;hydrochloride
CID 119588415
N-(1-amino-4-methylpentan-2-yl)-2,5-dibromothiophene-3-carboxamide;hydrochloride
CID 119587933
N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-hydroxybenzamide
CID 104872326
N-(1-amino-4-methylpentan-2-yl)thiophene-3-carboxamide;hydrochloride
CID 119588578
N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-iodobenzamide
CID 113265743
N-(1-amino-4-methylpentan-2-yl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide
CID 63888921
N-(1-amino-4-methylpentan-2-yl)-3,5-difluorobenzamide
CID 55242929
N-(1-amino-4-methylpentan-2-yl)-2,4,6-trimethylbenzamide
CID 55243707
N-(1-amino-4-methylpentan-2-yl)-3,5-dimethylfuran-2-carboxamide
CID 119586216
N-(1-amino-4-methylpentan-2-yl)-5-nitrothiophene-3-carboxamide;hydrochloride
CID 119587651
N-(1-amino-4-methylpentan-2-yl)-3-bromo-4-fluorobenzamide
CID 103807055
N-(1-amino-4-methylpentan-2-yl)-3-bromo-4-chlorobenzamide
CID 114024777

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-4-bromothiophene-2-carboxamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-4-bromothiophene-2-carboxamide (CID 119585627) is N-(1-amino-4-methylpentan-2-yl)-4-bromothiophene-2-carboxamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-4-bromothiophene-2-carboxamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-4-bromothiophene-2-carboxamide is CC(C)CC(CN)NC(=O)c1cc(Br)cs1.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-4-bromothiophene-2-carboxamide?
The InChIKey is XZDLBCCZHILZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2OS/c1-7(2)3-9(5-13)14-11(15)10-4-8(12)6-16-10/h4,6-7,9H,3,5,13H2,1-2H3,(H,14,15).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-4-bromothiophene-2-carboxamide?
N-(1-amino-4-methylpentan-2-yl)-4-bromothiophene-2-carboxamide has a molecular weight of 305.24 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-4-bromothiophene-2-carboxamide is sourced from PubChem (CID 119585627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).