N-(4-acetamidophenyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxamide

C18H20BrN3O4S2 — CID 24629349

IUPACN-(4-acetamidophenyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)cc1
InChIInChI=1S/C18H20BrN3O4S2/c1-12(23)20-14-4-6-15(7-5-14)21-18(24)13-3-2-10-22(11-13)28(25,26)17-9-8-16(19)27-17/h4-9,13H,2-3,10-11H2,1H3,(H,20,23)(H,21,24)
InChIKeyHYAWQMUKKVYUJG-UHFFFAOYSA-N
MW486.41 g/mol
LogP3.51
Rot. Bonds5

About N-(4-acetamidophenyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxamide

N-(4-acetamidophenyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxamide (PubChem CID 24629349) has the molecular formula C18H20BrN3O4S2 and a molecular weight of 486.41 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxamide
PubChem CID24629349
Molecular FormulaC18H20BrN3O4S2
Molecular Weight486.41 g/mol
Exact Mass485.01
IUPAC NameN-(4-acetamidophenyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)cc1
InChIInChI=1S/C18H20BrN3O4S2/c1-12(23)20-14-4-6-15(7-5-14)21-18(24)13-3-2-10-22(11-13)28(25,26)17-9-8-16(19)27-17/h4-9,13H,2-3,10-11H2,1H3,(H,20,23)(H,21,24)
InChIKeyHYAWQMUKKVYUJG-UHFFFAOYSA-N
XLogP3.51
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.41
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(5-bromothiophen-2-yl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide
CID 32622470
N-(4-acetylphenyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 42999460
1-(5-bromothiophen-2-yl)sulfonyl-N-(2-tert-butylphenyl)piperidine-3-carboxamide
CID 24630317
N-(4-bromophenyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 3640172
1-(5-bromothiophen-2-yl)sulfonyl-N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 78838767
1-(5-bromothiophen-2-yl)sulfonyl-N-(5-methyl-1H-pyrazol-3-yl)piperidine-3-carboxamide
CID 60519424
1-(5-bromothiophen-2-yl)sulfonyl-N-(6-imidazol-1-yl-3-pyridinyl)piperidine-3-carboxamide
CID 55580519
N-(5-acetamido-2-methylphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 46463653
1-(5-bromothiophen-2-yl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 15989573
1-(5-bromothiophen-2-yl)sulfonyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)piperidine-3-carboxamide
CID 42939650
ethyl (3R)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxylate
CID 1319204
ethyl (3S)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxylate
CID 1319201

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxamide (CID 24629349) is N-(4-acetamidophenyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxamide is CC(=O)Nc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxamide?
The InChIKey is HYAWQMUKKVYUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O4S2/c1-12(23)20-14-4-6-15(7-5-14)21-18(24)13-3-2-10-22(11-13)28(25,26)17-9-8-16(19)27-17/h4-9,13H,2-3,10-11H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-(4-acetamidophenyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxamide?
N-(4-acetamidophenyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxamide has a molecular weight of 486.41 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 24629349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).