1-(5-bromothiophen-2-yl)sulfonyl-N-(6-imidazol-1-yl-3-pyridinyl)piperidine-3-carboxamide

C18H18BrN5O3S2 — CID 55580519

IUPAC1-(5-bromothiophen-2-yl)sulfonyl-N-(6-imidazol-1-yl-3-pyridinyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(-n2ccnc2)nc1)C1CCCN(S(=O)(=O)c2ccc(Br)s2)C1
InChIInChI=1S/C18H18BrN5O3S2/c19-15-4-6-17(28-15)29(26,27)24-8-1-2-13(11-24)18(25)22-14-3-5-16(21-10-14)23-9-7-20-12-23/h3-7,9-10,12-13H,1-2,8,11H2,(H,22,25)
InChIKeyCXYMZDULSBUZOZ-UHFFFAOYSA-N
MW496.41 g/mol
LogP3.13
Rot. Bonds5

About 1-(5-bromothiophen-2-yl)sulfonyl-N-(6-imidazol-1-yl-3-pyridinyl)piperidine-3-carboxamide

1-(5-bromothiophen-2-yl)sulfonyl-N-(6-imidazol-1-yl-3-pyridinyl)piperidine-3-carboxamide (PubChem CID 55580519) has the molecular formula C18H18BrN5O3S2 and a molecular weight of 496.41 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)sulfonyl-N-(6-imidazol-1-yl-3-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)sulfonyl-N-(6-imidazol-1-yl-3-pyridinyl)piperidine-3-carboxamide
PubChem CID55580519
Molecular FormulaC18H18BrN5O3S2
Molecular Weight496.41 g/mol
Exact Mass495.00
IUPAC Name1-(5-bromothiophen-2-yl)sulfonyl-N-(6-imidazol-1-yl-3-pyridinyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(-n2ccnc2)nc1)C1CCCN(S(=O)(=O)c2ccc(Br)s2)C1
InChIInChI=1S/C18H18BrN5O3S2/c19-15-4-6-17(28-15)29(26,27)24-8-1-2-13(11-24)18(25)22-14-3-5-16(21-10-14)23-9-7-20-12-23/h3-7,9-10,12-13H,1-2,8,11H2,(H,22,25)
InChIKeyCXYMZDULSBUZOZ-UHFFFAOYSA-N
XLogP3.13
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-acetamidophenyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 24629349
1-(5-bromothiophen-2-yl)sulfonyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)piperidine-3-carboxamide
CID 42939650
(3R)-1-(5-bromothiophen-2-yl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide
CID 32622470
1-[5-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55701006
1-(4-fluorophenyl)sulfonyl-N-(4-imidazol-1-ylphenyl)piperidine-3-carboxamide
CID 55531467
1-(5-bromothiophen-2-yl)sulfonyl-N-(5-methyl-1H-pyrazol-3-yl)piperidine-3-carboxamide
CID 60519424
(3S)-1-(5-bromothiophen-2-yl)sulfonyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 30376778
1-(5-bromothiophen-2-yl)sulfonyl-N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 78838767
N-(6-imidazol-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide
CID 63005414
2-amino-N-(6-imidazol-1-yl-3-pyridinyl)cyclohexane-1-carboxamide
CID 64822564
1-(5-bromothiophen-2-yl)sulfonyl-N-(2-tert-butylphenyl)piperidine-3-carboxamide
CID 24630317
1-(5-bromothiophen-2-yl)sulfonyl-N-(1-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 24645564

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-N-(6-imidazol-1-yl-3-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-N-(6-imidazol-1-yl-3-pyridinyl)piperidine-3-carboxamide (CID 55580519) is 1-(5-bromothiophen-2-yl)sulfonyl-N-(6-imidazol-1-yl-3-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)sulfonyl-N-(6-imidazol-1-yl-3-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(5-bromothiophen-2-yl)sulfonyl-N-(6-imidazol-1-yl-3-pyridinyl)piperidine-3-carboxamide is O=C(Nc1ccc(-n2ccnc2)nc1)C1CCCN(S(=O)(=O)c2ccc(Br)s2)C1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)sulfonyl-N-(6-imidazol-1-yl-3-pyridinyl)piperidine-3-carboxamide?
The InChIKey is CXYMZDULSBUZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN5O3S2/c19-15-4-6-17(28-15)29(26,27)24-8-1-2-13(11-24)18(25)22-14-3-5-16(21-10-14)23-9-7-20-12-23/h3-7,9-10,12-13H,1-2,8,11H2,(H,22,25).
What are the key properties of 1-(5-bromothiophen-2-yl)sulfonyl-N-(6-imidazol-1-yl-3-pyridinyl)piperidine-3-carboxamide?
1-(5-bromothiophen-2-yl)sulfonyl-N-(6-imidazol-1-yl-3-pyridinyl)piperidine-3-carboxamide has a molecular weight of 496.41 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)sulfonyl-N-(6-imidazol-1-yl-3-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 55580519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).