5-bromo-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxo-1-phenylethyl]thiophene-2-sulfonamide

C19H23BrN2O3S2 — CID 15945105

IUPAC5-bromo-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxo-1-phenylethyl]thiophene-2-sulfonamide
SMILESCC1CC(C)CN(C(=O)C(NS(=O)(=O)c2ccc(Br)s2)c2ccccc2)C1
InChIInChI=1S/C19H23BrN2O3S2/c1-13-10-14(2)12-22(11-13)19(23)18(15-6-4-3-5-7-15)21-27(24,25)17-9-8-16(20)26-17/h3-9,13-14,18,21H,10-12H2,1-2H3
InChIKeyRHLXPMSXWYGZQV-UHFFFAOYSA-N
MW471.44 g/mol
LogP4.03
Rot. Bonds5

About 5-bromo-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxo-1-phenylethyl]thiophene-2-sulfonamide

5-bromo-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxo-1-phenylethyl]thiophene-2-sulfonamide (PubChem CID 15945105) has the molecular formula C19H23BrN2O3S2 and a molecular weight of 471.44 g/mol. Its IUPAC name is 5-bromo-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxo-1-phenylethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxo-1-phenylethyl]thiophene-2-sulfonamide
PubChem CID15945105
Molecular FormulaC19H23BrN2O3S2
Molecular Weight471.44 g/mol
Exact Mass470.03
IUPAC Name5-bromo-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxo-1-phenylethyl]thiophene-2-sulfonamide
SMILESCC1CC(C)CN(C(=O)C(NS(=O)(=O)c2ccc(Br)s2)c2ccccc2)C1
InChIInChI=1S/C19H23BrN2O3S2/c1-13-10-14(2)12-22(11-13)19(23)18(15-6-4-3-5-7-15)21-27(24,25)17-9-8-16(20)26-17/h3-9,13-14,18,21H,10-12H2,1-2H3
InChIKeyRHLXPMSXWYGZQV-UHFFFAOYSA-N
XLogP4.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.44
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxo-1-phenylethyl]thiophene-2-sulfonamide with MolForge

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Related Compounds

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[4-(5-Bromothiophen-2-yl)sulfonylpiperazin-1-yl]-(4-tert-butylphenyl)methanone
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CID 16193924
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CID 25162187
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxo-1-phenylethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxo-1-phenylethyl]thiophene-2-sulfonamide (CID 15945105) is 5-bromo-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxo-1-phenylethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxo-1-phenylethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxo-1-phenylethyl]thiophene-2-sulfonamide is CC1CC(C)CN(C(=O)C(NS(=O)(=O)c2ccc(Br)s2)c2ccccc2)C1.
What is the InChIKey of 5-bromo-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxo-1-phenylethyl]thiophene-2-sulfonamide?
The InChIKey is RHLXPMSXWYGZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O3S2/c1-13-10-14(2)12-22(11-13)19(23)18(15-6-4-3-5-7-15)21-27(24,25)17-9-8-16(20)26-17/h3-9,13-14,18,21H,10-12H2,1-2H3.
What are the key properties of 5-bromo-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxo-1-phenylethyl]thiophene-2-sulfonamide?
5-bromo-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxo-1-phenylethyl]thiophene-2-sulfonamide has a molecular weight of 471.44 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxo-1-phenylethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 15945105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).