5-bromo-N-[1-oxo-1-[4-(propylsulfonylamino)piperidin-1-yl]propan-2-yl]thiophene-2-carboxamide

C16H24BrN3O4S2 — CID 55851168

IUPAC5-bromo-N-[1-oxo-1-[4-(propylsulfonylamino)piperidin-1-yl]propan-2-yl]thiophene-2-carboxamide
SMILESCCCS(=O)(=O)NC1CCN(C(=O)C(C)NC(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C16H24BrN3O4S2/c1-3-10-26(23,24)19-12-6-8-20(9-7-12)16(22)11(2)18-15(21)13-4-5-14(17)25-13/h4-5,11-12,19H,3,6-10H2,1-2H3,(H,18,21)
InChIKeyFXKVVRPDVWVHPW-UHFFFAOYSA-N
MW466.42 g/mol
LogP1.95
Rot. Bonds7

About 5-bromo-N-[1-oxo-1-[4-(propylsulfonylamino)piperidin-1-yl]propan-2-yl]thiophene-2-carboxamide

5-bromo-N-[1-oxo-1-[4-(propylsulfonylamino)piperidin-1-yl]propan-2-yl]thiophene-2-carboxamide (PubChem CID 55851168) has the molecular formula C16H24BrN3O4S2 and a molecular weight of 466.42 g/mol. Its IUPAC name is 5-bromo-N-[1-oxo-1-[4-(propylsulfonylamino)piperidin-1-yl]propan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-oxo-1-[4-(propylsulfonylamino)piperidin-1-yl]propan-2-yl]thiophene-2-carboxamide
PubChem CID55851168
Molecular FormulaC16H24BrN3O4S2
Molecular Weight466.42 g/mol
Exact Mass465.04
IUPAC Name5-bromo-N-[1-oxo-1-[4-(propylsulfonylamino)piperidin-1-yl]propan-2-yl]thiophene-2-carboxamide
SMILESCCCS(=O)(=O)NC1CCN(C(=O)C(C)NC(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C16H24BrN3O4S2/c1-3-10-26(23,24)19-12-6-8-20(9-7-12)16(22)11(2)18-15(21)13-4-5-14(17)25-13/h4-5,11-12,19H,3,6-10H2,1-2H3,(H,18,21)
InChIKeyFXKVVRPDVWVHPW-UHFFFAOYSA-N
XLogP1.95
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.42
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride
CID 119520209
5-bromo-N-[1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 111561729
5-bromo-N-[1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55832880
N-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride
CID 119412744
5-bromo-N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119492735
5-bromo-N-[1-(2-ethylbutanoyl)piperidin-4-yl]thiophene-2-carboxamide
CID 87047357
N-[(2S)-1-oxo-1-[4-(propylsulfonylamino)piperidin-1-yl]propan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 55939135
1-[2-[(5-bromothiophene-2-carbonyl)amino]propanoyl]piperidine-2-carboxylic acid
CID 102559913
(2R)-1-[(2S)-2-[(5-bromothiophene-2-carbonyl)amino]propanoyl]piperidine-2-carboxylic acid
CID 99639632
5-bromo-N-[1-[4-(3-chlorobenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55823915
N-[1-(2-bromopropanoyl)piperidin-4-yl]ethanesulfonamide
CID 107904557
5-bromo-N-(3-oxobutan-2-yl)thiophene-2-carboxamide
CID 64997082

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-oxo-1-[4-(propylsulfonylamino)piperidin-1-yl]propan-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[1-oxo-1-[4-(propylsulfonylamino)piperidin-1-yl]propan-2-yl]thiophene-2-carboxamide (CID 55851168) is 5-bromo-N-[1-oxo-1-[4-(propylsulfonylamino)piperidin-1-yl]propan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-oxo-1-[4-(propylsulfonylamino)piperidin-1-yl]propan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[1-oxo-1-[4-(propylsulfonylamino)piperidin-1-yl]propan-2-yl]thiophene-2-carboxamide is CCCS(=O)(=O)NC1CCN(C(=O)C(C)NC(=O)c2ccc(Br)s2)CC1.
What is the InChIKey of 5-bromo-N-[1-oxo-1-[4-(propylsulfonylamino)piperidin-1-yl]propan-2-yl]thiophene-2-carboxamide?
The InChIKey is FXKVVRPDVWVHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O4S2/c1-3-10-26(23,24)19-12-6-8-20(9-7-12)16(22)11(2)18-15(21)13-4-5-14(17)25-13/h4-5,11-12,19H,3,6-10H2,1-2H3,(H,18,21).
What are the key properties of 5-bromo-N-[1-oxo-1-[4-(propylsulfonylamino)piperidin-1-yl]propan-2-yl]thiophene-2-carboxamide?
5-bromo-N-[1-oxo-1-[4-(propylsulfonylamino)piperidin-1-yl]propan-2-yl]thiophene-2-carboxamide has a molecular weight of 466.42 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-oxo-1-[4-(propylsulfonylamino)piperidin-1-yl]propan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 55851168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).