5-bromo-N-[(2R)-1-[2-(4-methoxypiperidin-1-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide

C16H24BrN3O3S — CID 96530308

IUPAC5-bromo-N-[(2R)-1-[2-(4-methoxypiperidin-1-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCOC1CCN(CCNC(=O)[C@@H](C)NC(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C16H24BrN3O3S/c1-11(19-16(22)13-3-4-14(17)24-13)15(21)18-7-10-20-8-5-12(23-2)6-9-20/h3-4,11-12H,5-10H2,1-2H3,(H,18,21)(H,19,22)/t11-/m1/s1
InChIKeyZIIFNSFHQDVTIC-LLVKDONJSA-N
MW418.36 g/mol
LogP1.86
Rot. Bonds7

About 5-bromo-N-[(2R)-1-[2-(4-methoxypiperidin-1-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide

5-bromo-N-[(2R)-1-[2-(4-methoxypiperidin-1-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 96530308) has the molecular formula C16H24BrN3O3S and a molecular weight of 418.36 g/mol. Its IUPAC name is 5-bromo-N-[(2R)-1-[2-(4-methoxypiperidin-1-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2R)-1-[2-(4-methoxypiperidin-1-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID96530308
Molecular FormulaC16H24BrN3O3S
Molecular Weight418.36 g/mol
Exact Mass417.07
IUPAC Name5-bromo-N-[(2R)-1-[2-(4-methoxypiperidin-1-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCOC1CCN(CCNC(=O)[C@@H](C)NC(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C16H24BrN3O3S/c1-11(19-16(22)13-3-4-14(17)24-13)15(21)18-7-10-20-8-5-12(23-2)6-9-20/h3-4,11-12H,5-10H2,1-2H3,(H,18,21)(H,19,22)/t11-/m1/s1
InChIKeyZIIFNSFHQDVTIC-LLVKDONJSA-N
XLogP1.86
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.36
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride
CID 119384927
5-bromo-N-[1-[3-(2-methylpropoxy)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55865383
5-bromo-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide
CID 55029116
N-[1-[(1-amino-2-cyclopropylpropan-2-yl)amino]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide
CID 119575303
5-bromo-N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55833295
5-bromo-N-[1-[2-(methylamino)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 120827801
5-bromo-N-(1-propylpiperidin-4-yl)thiophene-2-carboxamide
CID 17249869
5-bromo-N-[1-[(1-cyclopropyl-3-hydroxypropyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 71847164
5-bromo-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide
CID 43600302
5-bromo-N-[1-oxo-1-(piperidin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119463754
methyl 4-[[2-[(5-bromothiophene-2-carbonyl)amino]propanoylamino]methyl]oxane-4-carboxylate
CID 75452993
methyl 4-[[[(2S)-2-[(5-bromothiophene-2-carbonyl)amino]propanoyl]amino]methyl]oxane-4-carboxylate
CID 97349120

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2R)-1-[2-(4-methoxypiperidin-1-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[(2R)-1-[2-(4-methoxypiperidin-1-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 96530308) is 5-bromo-N-[(2R)-1-[2-(4-methoxypiperidin-1-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2R)-1-[2-(4-methoxypiperidin-1-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(2R)-1-[2-(4-methoxypiperidin-1-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide is COC1CCN(CCNC(=O)[C@@H](C)NC(=O)c2ccc(Br)s2)CC1.
What is the InChIKey of 5-bromo-N-[(2R)-1-[2-(4-methoxypiperidin-1-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is ZIIFNSFHQDVTIC-LLVKDONJSA-N. The full InChI is InChI=1S/C16H24BrN3O3S/c1-11(19-16(22)13-3-4-14(17)24-13)15(21)18-7-10-20-8-5-12(23-2)6-9-20/h3-4,11-12H,5-10H2,1-2H3,(H,18,21)(H,19,22)/t11-/m1/s1.
What are the key properties of 5-bromo-N-[(2R)-1-[2-(4-methoxypiperidin-1-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
5-bromo-N-[(2R)-1-[2-(4-methoxypiperidin-1-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 418.36 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2R)-1-[2-(4-methoxypiperidin-1-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 96530308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).