N-[1-[(1-amino-2,3-dimethylbutan-2-yl)amino]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride

C14H23BrClN3O2S — CID 119608372

IUPACN-[1-[(1-amino-2,3-dimethylbutan-2-yl)amino]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride
SMILESCC(NC(=O)c1ccc(Br)s1)C(=O)NC(C)(CN)C(C)C.Cl
InChIInChI=1S/C14H22BrN3O2S.ClH/c1-8(2)14(4,7-16)18-12(19)9(3)17-13(20)10-5-6-11(15)21-10;/h5-6,8-9H,7,16H2,1-4H3,(H,17,20)(H,18,19);1H
InChIKeyHLHZEXJUSHCGQG-UHFFFAOYSA-N
MW412.78 g/mol
LogP2.54
Rot. Bonds6

About N-[1-[(1-amino-2,3-dimethylbutan-2-yl)amino]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride

N-[1-[(1-amino-2,3-dimethylbutan-2-yl)amino]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride (PubChem CID 119608372) has the molecular formula C14H23BrClN3O2S and a molecular weight of 412.78 g/mol. Its IUPAC name is N-[1-[(1-amino-2,3-dimethylbutan-2-yl)amino]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[(1-amino-2,3-dimethylbutan-2-yl)amino]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride
PubChem CID119608372
Molecular FormulaC14H23BrClN3O2S
Molecular Weight412.78 g/mol
Exact Mass411.04
IUPAC NameN-[1-[(1-amino-2,3-dimethylbutan-2-yl)amino]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride
SMILESCC(NC(=O)c1ccc(Br)s1)C(=O)NC(C)(CN)C(C)C.Cl
InChIInChI=1S/C14H22BrN3O2S.ClH/c1-8(2)14(4,7-16)18-12(19)9(3)17-13(20)10-5-6-11(15)21-10;/h5-6,8-9H,7,16H2,1-4H3,(H,17,20)(H,18,19);1H
InChIKeyHLHZEXJUSHCGQG-UHFFFAOYSA-N
XLogP2.54
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.78
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[1-[(1-amino-2,3-dimethylbutan-2-yl)amino]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride with MolForge

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Related Compounds

5-bromo-N-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 94193223
N-[1-[(1-amino-2-cyclopropylpropan-2-yl)amino]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide
CID 119575303
2-[2-[(5-bromothiophene-2-carbonyl)amino]propanoylamino]-2-methylbutanoic acid
CID 119199151
N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride
CID 119384927
N-(1-amino-2,3-dimethylbutan-2-yl)-5-methylthiophene-2-carboxamide;hydrochloride
CID 119606869
5-bromo-N-(3-oxobutan-2-yl)thiophene-2-carboxamide
CID 64997082
5-bromo-N-[1-[2-(methylamino)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 120827801
N-(1-amino-2,3-dimethylbutan-2-yl)-5-methylthiophene-2-carboxamide
CID 81486406
5-bromo-N-[1-[[2-(4-bromophenyl)-2-methylpropyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55848136
5-bromo-N-[(2S)-1-oxo-1-[[(2S)-4-oxo-4-(propan-2-ylamino)butan-2-yl]amino]propan-2-yl]thiophene-2-carboxamide
CID 95778028
(2S,3S)-2-[2-[(5-bromothiophene-2-carbonyl)amino]propanoylamino]-3-methylpentanoic acid
CID 119193926
N-[(2S)-1-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-1-oxopropan-2-yl]-4-tert-butylbenzamide
CID 35187078

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1-amino-2,3-dimethylbutan-2-yl)amino]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-[1-[(1-amino-2,3-dimethylbutan-2-yl)amino]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride (CID 119608372) is N-[1-[(1-amino-2,3-dimethylbutan-2-yl)amino]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-[(1-amino-2,3-dimethylbutan-2-yl)amino]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[1-[(1-amino-2,3-dimethylbutan-2-yl)amino]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride is CC(NC(=O)c1ccc(Br)s1)C(=O)NC(C)(CN)C(C)C.Cl.
What is the InChIKey of N-[1-[(1-amino-2,3-dimethylbutan-2-yl)amino]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride?
The InChIKey is HLHZEXJUSHCGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O2S.ClH/c1-8(2)14(4,7-16)18-12(19)9(3)17-13(20)10-5-6-11(15)21-10;/h5-6,8-9H,7,16H2,1-4H3,(H,17,20)(H,18,19);1H.
What are the key properties of N-[1-[(1-amino-2,3-dimethylbutan-2-yl)amino]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride?
N-[1-[(1-amino-2,3-dimethylbutan-2-yl)amino]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride has a molecular weight of 412.78 g/mol, XLogP of 2.54, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1-amino-2,3-dimethylbutan-2-yl)amino]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119608372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).