1-(5-bromothiophen-2-yl)sulfonyl-N-(4-oxoquinazolin-3-yl)piperidine-3-carboxamide

C18H17BrN4O4S2 — CID 24628250

IUPAC1-(5-bromothiophen-2-yl)sulfonyl-N-(4-oxoquinazolin-3-yl)piperidine-3-carboxamide
SMILESO=C(Nn1cnc2ccccc2c1=O)C1CCCN(S(=O)(=O)c2ccc(Br)s2)C1
InChIInChI=1S/C18H17BrN4O4S2/c19-15-7-8-16(28-15)29(26,27)22-9-3-4-12(10-22)17(24)21-23-11-20-14-6-2-1-5-13(14)18(23)25/h1-2,5-8,11-12H,3-4,9-10H2,(H,21,24)
InChIKeyYVQQVGWIXMRFAD-UHFFFAOYSA-N
MW497.40 g/mol
LogP2.39
Rot. Bonds4

About 1-(5-bromothiophen-2-yl)sulfonyl-N-(4-oxoquinazolin-3-yl)piperidine-3-carboxamide

1-(5-bromothiophen-2-yl)sulfonyl-N-(4-oxoquinazolin-3-yl)piperidine-3-carboxamide (PubChem CID 24628250) has the molecular formula C18H17BrN4O4S2 and a molecular weight of 497.40 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)sulfonyl-N-(4-oxoquinazolin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)sulfonyl-N-(4-oxoquinazolin-3-yl)piperidine-3-carboxamide
PubChem CID24628250
Molecular FormulaC18H17BrN4O4S2
Molecular Weight497.40 g/mol
Exact Mass495.99
IUPAC Name1-(5-bromothiophen-2-yl)sulfonyl-N-(4-oxoquinazolin-3-yl)piperidine-3-carboxamide
SMILESO=C(Nn1cnc2ccccc2c1=O)C1CCCN(S(=O)(=O)c2ccc(Br)s2)C1
InChIInChI=1S/C18H17BrN4O4S2/c19-15-7-8-16(28-15)29(26,27)22-9-3-4-12(10-22)17(24)21-23-11-20-14-6-2-1-5-13(14)18(23)25/h1-2,5-8,11-12H,3-4,9-10H2,(H,21,24)
InChIKeyYVQQVGWIXMRFAD-UHFFFAOYSA-N
XLogP2.39
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-1-(5-bromothiophen-2-yl)sulfonyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 30376778
1-(5-bromothiophen-2-yl)sulfonyl-N-(1-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 24645564
1-(5-bromothiophen-2-yl)sulfonyl-N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 78838767
(3R)-1-(5-bromothiophen-2-yl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide
CID 32622470
N-(4-acetamidophenyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 24629349
1-(5-bromothiophen-2-yl)sulfonyl-N-(2-tert-butylphenyl)piperidine-3-carboxamide
CID 24630317
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-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)piperidine-3-carboxamide
CID 42939650
[(3S)-1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone
CID 40782946
[(3S)-1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 41123423
1-(5-bromothiophen-2-yl)sulfonyl-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide
CID 24654701
1-(5-bromothiophen-2-yl)sulfonyl-N-(6-imidazol-1-yl-3-pyridinyl)piperidine-3-carboxamide
CID 55580519

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-N-(4-oxoquinazolin-3-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-N-(4-oxoquinazolin-3-yl)piperidine-3-carboxamide (CID 24628250) is 1-(5-bromothiophen-2-yl)sulfonyl-N-(4-oxoquinazolin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)sulfonyl-N-(4-oxoquinazolin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(5-bromothiophen-2-yl)sulfonyl-N-(4-oxoquinazolin-3-yl)piperidine-3-carboxamide is O=C(Nn1cnc2ccccc2c1=O)C1CCCN(S(=O)(=O)c2ccc(Br)s2)C1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)sulfonyl-N-(4-oxoquinazolin-3-yl)piperidine-3-carboxamide?
The InChIKey is YVQQVGWIXMRFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN4O4S2/c19-15-7-8-16(28-15)29(26,27)22-9-3-4-12(10-22)17(24)21-23-11-20-14-6-2-1-5-13(14)18(23)25/h1-2,5-8,11-12H,3-4,9-10H2,(H,21,24).
What are the key properties of 1-(5-bromothiophen-2-yl)sulfonyl-N-(4-oxoquinazolin-3-yl)piperidine-3-carboxamide?
1-(5-bromothiophen-2-yl)sulfonyl-N-(4-oxoquinazolin-3-yl)piperidine-3-carboxamide has a molecular weight of 497.40 g/mol, XLogP of 2.39, 4 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-(4-oxoquinazolin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 24628250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).