5-bromo-N-[1-[2-(methylamino)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride

C12H19BrClN3O2S — CID 120827801

IUPAC5-bromo-N-[1-[2-(methylamino)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)C(C)NC(=O)c1ccc(Br)s1.Cl
InChIInChI=1S/C12H18BrN3O2S.ClH/c1-7(14-3)6-15-11(17)8(2)16-12(18)9-4-5-10(13)19-9;/h4-5,7-8,14H,6H2,1-3H3,(H,15,17)(H,16,18);1H
InChIKeyBNHNBUOEOLQZOY-UHFFFAOYSA-N
MW384.73 g/mol
LogP1.77
Rot. Bonds6

About 5-bromo-N-[1-[2-(methylamino)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride

5-bromo-N-[1-[2-(methylamino)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride (PubChem CID 120827801) has the molecular formula C12H19BrClN3O2S and a molecular weight of 384.73 g/mol. Its IUPAC name is 5-bromo-N-[1-[2-(methylamino)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-bromo-N-[1-[2-(methylamino)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride
PubChem CID120827801
Molecular FormulaC12H19BrClN3O2S
Molecular Weight384.73 g/mol
Exact Mass383.01
IUPAC Name5-bromo-N-[1-[2-(methylamino)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)C(C)NC(=O)c1ccc(Br)s1.Cl
InChIInChI=1S/C12H18BrN3O2S.ClH/c1-7(14-3)6-15-11(17)8(2)16-12(18)9-4-5-10(13)19-9;/h4-5,7-8,14H,6H2,1-3H3,(H,15,17)(H,16,18);1H
InChIKeyBNHNBUOEOLQZOY-UHFFFAOYSA-N
XLogP1.77
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.73
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride
CID 119384927
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CID 95778028
5-bromo-N-(3-oxobutan-2-yl)thiophene-2-carboxamide
CID 64997082
5-bromo-N-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 94193223
5-bromo-N-[1-[[2-(4-bromophenyl)-2-methylpropyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55848136
5-bromo-N-[1-[3-(2-methylpropoxy)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55865383
N-[1-[(1-amino-2,3-dimethylbutan-2-yl)amino]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride
CID 119608372
(2S,3S)-2-[2-[(5-bromothiophene-2-carbonyl)amino]propanoylamino]-3-methylpentanoic acid
CID 119193926
5-bromo-N-[1-[(1-cyclopropyl-3-hydroxypropyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 71847164
5-bromo-N-[1-oxo-1-(piperidin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119463754
5-bromo-N-[1-oxo-1-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]propan-2-yl]thiophene-2-carboxamide
CID 55833804
5-bromo-N-[(2R)-1-[[1-(dimethylamino)cycloheptyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51963936

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-[2-(methylamino)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride?
The IUPAC name of 5-bromo-N-[1-[2-(methylamino)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride (CID 120827801) is 5-bromo-N-[1-[2-(methylamino)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-bromo-N-[1-[2-(methylamino)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for 5-bromo-N-[1-[2-(methylamino)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride is CNC(C)CNC(=O)C(C)NC(=O)c1ccc(Br)s1.Cl.
What is the InChIKey of 5-bromo-N-[1-[2-(methylamino)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride?
The InChIKey is BNHNBUOEOLQZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O2S.ClH/c1-7(14-3)6-15-11(17)8(2)16-12(18)9-4-5-10(13)19-9;/h4-5,7-8,14H,6H2,1-3H3,(H,15,17)(H,16,18);1H.
What are the key properties of 5-bromo-N-[1-[2-(methylamino)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride?
5-bromo-N-[1-[2-(methylamino)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride has a molecular weight of 384.73 g/mol, XLogP of 1.77, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-[2-(methylamino)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 120827801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).