1-(4-acetylphenyl)sulfonyl-N-[1-(2-bromophenyl)ethyl]piperidine-4-carboxamide

C22H25BrN2O4S — CID 112762584

IUPAC1-(4-acetylphenyl)sulfonyl-N-[1-(2-bromophenyl)ethyl]piperidine-4-carboxamide
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NC(C)c3ccccc3Br)CC2)cc1
InChIInChI=1S/C22H25BrN2O4S/c1-15(20-5-3-4-6-21(20)23)24-22(27)18-11-13-25(14-12-18)30(28,29)19-9-7-17(8-10-19)16(2)26/h3-10,15,18H,11-14H2,1-2H3,(H,24,27)
InChIKeyGUBCPXNZQWFHLR-UHFFFAOYSA-N
MW493.42 g/mol
LogP3.93
Rot. Bonds6

About 1-(4-acetylphenyl)sulfonyl-N-[1-(2-bromophenyl)ethyl]piperidine-4-carboxamide

1-(4-acetylphenyl)sulfonyl-N-[1-(2-bromophenyl)ethyl]piperidine-4-carboxamide (PubChem CID 112762584) has the molecular formula C22H25BrN2O4S and a molecular weight of 493.42 g/mol. Its IUPAC name is 1-(4-acetylphenyl)sulfonyl-N-[1-(2-bromophenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-acetylphenyl)sulfonyl-N-[1-(2-bromophenyl)ethyl]piperidine-4-carboxamide
PubChem CID112762584
Molecular FormulaC22H25BrN2O4S
Molecular Weight493.42 g/mol
Exact Mass492.07
IUPAC Name1-(4-acetylphenyl)sulfonyl-N-[1-(2-bromophenyl)ethyl]piperidine-4-carboxamide
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NC(C)c3ccccc3Br)CC2)cc1
InChIInChI=1S/C22H25BrN2O4S/c1-15(20-5-3-4-6-21(20)23)24-22(27)18-11-13-25(14-12-18)30(28,29)19-9-7-17(8-10-19)16(2)26/h3-10,15,18H,11-14H2,1-2H3,(H,24,27)
InChIKeyGUBCPXNZQWFHLR-UHFFFAOYSA-N
XLogP3.93
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-acetylphenyl)sulfonyl-N-[1-(2,4-difluorophenyl)ethyl]piperidine-4-carboxamide
CID 112763783
N-[(1R)-1-(2-bromophenyl)ethyl]cyclopropanecarboxamide
CID 9220068
N-[1-(2-bromophenyl)ethyl]cyclopropanecarboxamide
CID 18111915
1-(4-acetylphenyl)sulfonyl-N-(2-amino-1-cyclopropylethyl)piperidine-4-carboxamide;hydrochloride
CID 119613445
1-(4-acetylphenyl)sulfonyl-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-4-carboxamide
CID 43008993
1-(4-acetylphenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
CID 27556617
1-(benzenesulfonyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide
CID 26957904
1-(benzenesulfonyl)-N-[1-(3-bromophenyl)ethyl]piperidine-4-carboxamide
CID 43872998
N-[(1R)-1-(4-bromophenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 27783378
1-(4-acetylphenyl)sulfonyl-N-[(2R)-3-hydroxy-2-methylpropyl]piperidine-4-carboxamide
CID 97087231
1-(4-tert-butylphenyl)sulfonyl-N-(1-phenylethyl)piperidine-4-carboxamide
CID 42998415
N-[1-(2-chlorophenyl)ethyl]-1-sulfamoylpiperidine-4-carboxamide
CID 43072355

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)sulfonyl-N-[1-(2-bromophenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-acetylphenyl)sulfonyl-N-[1-(2-bromophenyl)ethyl]piperidine-4-carboxamide (CID 112762584) is 1-(4-acetylphenyl)sulfonyl-N-[1-(2-bromophenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-acetylphenyl)sulfonyl-N-[1-(2-bromophenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-acetylphenyl)sulfonyl-N-[1-(2-bromophenyl)ethyl]piperidine-4-carboxamide is CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NC(C)c3ccccc3Br)CC2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)sulfonyl-N-[1-(2-bromophenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is GUBCPXNZQWFHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25BrN2O4S/c1-15(20-5-3-4-6-21(20)23)24-22(27)18-11-13-25(14-12-18)30(28,29)19-9-7-17(8-10-19)16(2)26/h3-10,15,18H,11-14H2,1-2H3,(H,24,27).
What are the key properties of 1-(4-acetylphenyl)sulfonyl-N-[1-(2-bromophenyl)ethyl]piperidine-4-carboxamide?
1-(4-acetylphenyl)sulfonyl-N-[1-(2-bromophenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 493.42 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)sulfonyl-N-[1-(2-bromophenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 112762584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).