5-bromo-N-[1-[4-(3-chlorobenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide

C19H19BrClN3O3S — CID 55823915

IUPAC5-bromo-N-[1-[4-(3-chlorobenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1ccc(Br)s1)C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H19BrClN3O3S/c1-12(22-17(25)15-5-6-16(20)28-15)18(26)23-7-9-24(10-8-23)19(27)13-3-2-4-14(21)11-13/h2-6,11-12H,7-10H2,1H3,(H,22,25)
InChIKeyQSMWVESSUYZSSU-UHFFFAOYSA-N
MW484.80 g/mol
LogP3.27
Rot. Bonds4

About 5-bromo-N-[1-[4-(3-chlorobenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide

5-bromo-N-[1-[4-(3-chlorobenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 55823915) has the molecular formula C19H19BrClN3O3S and a molecular weight of 484.80 g/mol. Its IUPAC name is 5-bromo-N-[1-[4-(3-chlorobenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-[4-(3-chlorobenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID55823915
Molecular FormulaC19H19BrClN3O3S
Molecular Weight484.80 g/mol
Exact Mass483.00
IUPAC Name5-bromo-N-[1-[4-(3-chlorobenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1ccc(Br)s1)C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H19BrClN3O3S/c1-12(22-17(25)15-5-6-16(20)28-15)18(26)23-7-9-24(10-8-23)19(27)13-3-2-4-14(21)11-13/h2-6,11-12H,7-10H2,1H3,(H,22,25)
InChIKeyQSMWVESSUYZSSU-UHFFFAOYSA-N
XLogP3.27
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.80
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]propan-1-one
CID 119278856
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-[1-(3-chlorophenyl)ethyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55830507
2-[4-(3-chlorobenzoyl)piperazin-1-yl]propanoic acid
CID 62317082
5-bromo-N-[1-oxo-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-2-yl]thiophene-2-carboxamide
CID 55832874
N-[(2S)-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 31279747
N-[1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-methylbenzamide
CID 55886187
5-bromo-N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119492735
5-bromo-N-[1-oxo-1-[4-(propylsulfonylamino)piperidin-1-yl]propan-2-yl]thiophene-2-carboxamide
CID 55851168

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-[4-(3-chlorobenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[1-[4-(3-chlorobenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 55823915) is 5-bromo-N-[1-[4-(3-chlorobenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-[4-(3-chlorobenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[1-[4-(3-chlorobenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide is CC(NC(=O)c1ccc(Br)s1)C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of 5-bromo-N-[1-[4-(3-chlorobenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is QSMWVESSUYZSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrClN3O3S/c1-12(22-17(25)15-5-6-16(20)28-15)18(26)23-7-9-24(10-8-23)19(27)13-3-2-4-14(21)11-13/h2-6,11-12H,7-10H2,1H3,(H,22,25).
What are the key properties of 5-bromo-N-[1-[4-(3-chlorobenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide?
5-bromo-N-[1-[4-(3-chlorobenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 484.80 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-[4-(3-chlorobenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 55823915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).