5-bromo-N-[1-[(3-methyl-1-thiophen-2-ylbutyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide

C17H21BrN2O2S2 — CID 55977452

IUPAC5-bromo-N-[1-[(3-methyl-1-thiophen-2-ylbutyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(C)CC(NC(=O)C(C)NC(=O)c1ccc(Br)s1)c1cccs1
InChIInChI=1S/C17H21BrN2O2S2/c1-10(2)9-12(13-5-4-8-23-13)20-16(21)11(3)19-17(22)14-6-7-15(18)24-14/h4-8,10-12H,9H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyLTFHWDBHDBCDGK-UHFFFAOYSA-N
MW429.41 g/mol
LogP4.59
Rot. Bonds7

About 5-bromo-N-[1-[(3-methyl-1-thiophen-2-ylbutyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide

5-bromo-N-[1-[(3-methyl-1-thiophen-2-ylbutyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 55977452) has the molecular formula C17H21BrN2O2S2 and a molecular weight of 429.41 g/mol. Its IUPAC name is 5-bromo-N-[1-[(3-methyl-1-thiophen-2-ylbutyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-[(3-methyl-1-thiophen-2-ylbutyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID55977452
Molecular FormulaC17H21BrN2O2S2
Molecular Weight429.41 g/mol
Exact Mass428.02
IUPAC Name5-bromo-N-[1-[(3-methyl-1-thiophen-2-ylbutyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(C)CC(NC(=O)C(C)NC(=O)c1ccc(Br)s1)c1cccs1
InChIInChI=1S/C17H21BrN2O2S2/c1-10(2)9-12(13-5-4-8-23-13)20-16(21)11(3)19-17(22)14-6-7-15(18)24-14/h4-8,10-12H,9H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyLTFHWDBHDBCDGK-UHFFFAOYSA-N
XLogP4.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.41
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-[1-[(3-methyl-1-thiophen-2-ylbutyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride
CID 119384927
5-bromo-N-(3-oxobutan-2-yl)thiophene-2-carboxamide
CID 64997082
5-bromo-N-[1-[methyl(4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55830189
5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-carboxamide
CID 61247480
5-bromo-N-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 94193223
N-[1-[1-(4-bromophenyl)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51299263
N-[1-[(1-amino-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 119585489
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
5-bromo-N-[1-[2-(methylamino)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 120827801
(2S,3S)-2-[2-[(5-bromothiophene-2-carbonyl)amino]propanoylamino]-3-methylpentanoic acid
CID 119193926
2-[2-[(5-bromothiophene-2-carbonyl)amino]propanoylamino]-2-methylbutanoic acid
CID 119199151
N-methyl-2-[(3-methyl-1-thiophen-2-ylbutyl)amino]acetamide
CID 115706824

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-[(3-methyl-1-thiophen-2-ylbutyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[1-[(3-methyl-1-thiophen-2-ylbutyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 55977452) is 5-bromo-N-[1-[(3-methyl-1-thiophen-2-ylbutyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-[(3-methyl-1-thiophen-2-ylbutyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[1-[(3-methyl-1-thiophen-2-ylbutyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide is CC(C)CC(NC(=O)C(C)NC(=O)c1ccc(Br)s1)c1cccs1.
What is the InChIKey of 5-bromo-N-[1-[(3-methyl-1-thiophen-2-ylbutyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is LTFHWDBHDBCDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O2S2/c1-10(2)9-12(13-5-4-8-23-13)20-16(21)11(3)19-17(22)14-6-7-15(18)24-14/h4-8,10-12H,9H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of 5-bromo-N-[1-[(3-methyl-1-thiophen-2-ylbutyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
5-bromo-N-[1-[(3-methyl-1-thiophen-2-ylbutyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 429.41 g/mol, XLogP of 4.59, 7 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-methyl-1-thiophen-2-ylbutyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 55977452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).