1-(5-bromothiophen-2-yl)sulfonyl-N-phenyl-N-propan-2-ylpiperidine-4-carboxamide

C19H23BrN2O3S2 — CID 55919570

IUPAC1-(5-bromothiophen-2-yl)sulfonyl-N-phenyl-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)N(C(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)c1ccccc1
InChIInChI=1S/C19H23BrN2O3S2/c1-14(2)22(16-6-4-3-5-7-16)19(23)15-10-12-21(13-11-15)27(24,25)18-9-8-17(20)26-18/h3-9,14-15H,10-13H2,1-2H3
InChIKeyAZCZPQCAJNESIJ-UHFFFAOYSA-N
MW471.44 g/mol
LogP4.35
Rot. Bonds5

About 1-(5-bromothiophen-2-yl)sulfonyl-N-phenyl-N-propan-2-ylpiperidine-4-carboxamide

1-(5-bromothiophen-2-yl)sulfonyl-N-phenyl-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 55919570) has the molecular formula C19H23BrN2O3S2 and a molecular weight of 471.44 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)sulfonyl-N-phenyl-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)sulfonyl-N-phenyl-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID55919570
Molecular FormulaC19H23BrN2O3S2
Molecular Weight471.44 g/mol
Exact Mass470.03
IUPAC Name1-(5-bromothiophen-2-yl)sulfonyl-N-phenyl-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)N(C(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)c1ccccc1
InChIInChI=1S/C19H23BrN2O3S2/c1-14(2)22(16-6-4-3-5-7-16)19(23)15-10-12-21(13-11-15)27(24,25)18-9-8-17(20)26-18/h3-9,14-15H,10-13H2,1-2H3
InChIKeyAZCZPQCAJNESIJ-UHFFFAOYSA-N
XLogP4.35
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.44
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromothiophen-2-yl)sulfonyl-N-ethyl-N-phenylpiperidine-4-carboxamide
CID 39753135
N-benzyl-1-(5-bromothiophen-2-yl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 112760133
(3S)-1-(5-bromothiophen-2-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 94917781
1-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-N-methylethanamine
CID 63855243
2-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 95088956
ethyl 1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carboxylate
CID 1006699
1-(5-bromothiophen-2-yl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 15989573
1-(5-bromothiophen-2-yl)sulfonyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 112760979
1-(5-bromothiophen-2-yl)sulfonyl-N-propylpiperidine-4-carboxamide
CID 51143852
1-(5-bromothiophen-2-yl)sulfonyl-4-[(1S)-1-phenylethyl]piperazine
CID 39903994
N-(4-bromophenyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 3640172
1-(5-bromothiophen-2-yl)sulfonylazepane
CID 893724

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-N-phenyl-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-N-phenyl-N-propan-2-ylpiperidine-4-carboxamide (CID 55919570) is 1-(5-bromothiophen-2-yl)sulfonyl-N-phenyl-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)sulfonyl-N-phenyl-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(5-bromothiophen-2-yl)sulfonyl-N-phenyl-N-propan-2-ylpiperidine-4-carboxamide is CC(C)N(C(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)c1ccccc1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)sulfonyl-N-phenyl-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is AZCZPQCAJNESIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O3S2/c1-14(2)22(16-6-4-3-5-7-16)19(23)15-10-12-21(13-11-15)27(24,25)18-9-8-17(20)26-18/h3-9,14-15H,10-13H2,1-2H3.
What are the key properties of 1-(5-bromothiophen-2-yl)sulfonyl-N-phenyl-N-propan-2-ylpiperidine-4-carboxamide?
1-(5-bromothiophen-2-yl)sulfonyl-N-phenyl-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 471.44 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)sulfonyl-N-phenyl-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 55919570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).