5-bromo-N-[1-[3-(2-methylpropoxy)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide

C15H23BrN2O3S — CID 55865383

IUPAC5-bromo-N-[1-[3-(2-methylpropoxy)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(C)COCCCNC(=O)C(C)NC(=O)c1ccc(Br)s1
InChIInChI=1S/C15H23BrN2O3S/c1-10(2)9-21-8-4-7-17-14(19)11(3)18-15(20)12-5-6-13(16)22-12/h5-6,10-11H,4,7-9H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyWLILFPZMMLYIGX-UHFFFAOYSA-N
MW391.33 g/mol
LogP2.81
Rot. Bonds9

About 5-bromo-N-[1-[3-(2-methylpropoxy)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide

5-bromo-N-[1-[3-(2-methylpropoxy)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 55865383) has the molecular formula C15H23BrN2O3S and a molecular weight of 391.33 g/mol. Its IUPAC name is 5-bromo-N-[1-[3-(2-methylpropoxy)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-[3-(2-methylpropoxy)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID55865383
Molecular FormulaC15H23BrN2O3S
Molecular Weight391.33 g/mol
Exact Mass390.06
IUPAC Name5-bromo-N-[1-[3-(2-methylpropoxy)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(C)COCCCNC(=O)C(C)NC(=O)c1ccc(Br)s1
InChIInChI=1S/C15H23BrN2O3S/c1-10(2)9-21-8-4-7-17-14(19)11(3)18-15(20)12-5-6-13(16)22-12/h5-6,10-11H,4,7-9H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyWLILFPZMMLYIGX-UHFFFAOYSA-N
XLogP2.81
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.33
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride
CID 119384927
5-methyl-N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide
CID 134055886
2-chloro-N-[(2R)-1-[3-(2-methylpropoxy)propylamino]-1-oxopropan-2-yl]benzamide
CID 99779705
5-bromo-N-[1-[2-(methylamino)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 120827801
N-[1-[3-(2-methylpropoxy)propylamino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 51339268
5-bromo-N-(2-methylpropoxy)thiophene-2-carboxamide
CID 115409767
5-bromo-N-[1-[[4-(4-chloroanilino)-4-oxobutyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55946496
5-bromo-N-[(2R)-1-[2-(4-methoxypiperidin-1-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 96530308
5-bromo-N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55833295
5-bromo-N-(3-oxobutan-2-yl)thiophene-2-carboxamide
CID 64997082
(2S,3S)-2-[2-[(5-bromothiophene-2-carbonyl)amino]propanoylamino]-3-methylpentanoic acid
CID 119193926
5-bromo-N-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 94193223

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-[3-(2-methylpropoxy)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[1-[3-(2-methylpropoxy)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 55865383) is 5-bromo-N-[1-[3-(2-methylpropoxy)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-[3-(2-methylpropoxy)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[1-[3-(2-methylpropoxy)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide is CC(C)COCCCNC(=O)C(C)NC(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[1-[3-(2-methylpropoxy)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is WLILFPZMMLYIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O3S/c1-10(2)9-21-8-4-7-17-14(19)11(3)18-15(20)12-5-6-13(16)22-12/h5-6,10-11H,4,7-9H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of 5-bromo-N-[1-[3-(2-methylpropoxy)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
5-bromo-N-[1-[3-(2-methylpropoxy)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 391.33 g/mol, XLogP of 2.81, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-[3-(2-methylpropoxy)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 55865383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).