2-bromo-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-5-pyrrolidin-1-ylsulfonylbenzamide

C19H23BrN4O4S — CID 55538923

IUPAC2-bromo-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESCc1nc(C2(NC(=O)c3cc(S(=O)(=O)N4CCCC4)ccc3Br)CCCC2)no1
InChIInChI=1S/C19H23BrN4O4S/c1-13-21-18(23-28-13)19(8-2-3-9-19)22-17(25)15-12-14(6-7-16(15)20)29(26,27)24-10-4-5-11-24/h6-7,12H,2-5,8-11H2,1H3,(H,22,25)
InChIKeyZOSZSIANLNXVAN-UHFFFAOYSA-N
MW483.39 g/mol
LogP3.12
Rot. Bonds5

About 2-bromo-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-5-pyrrolidin-1-ylsulfonylbenzamide

2-bromo-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-5-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 55538923) has the molecular formula C19H23BrN4O4S and a molecular weight of 483.39 g/mol. Its IUPAC name is 2-bromo-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-5-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-bromo-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-5-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID55538923
Molecular FormulaC19H23BrN4O4S
Molecular Weight483.39 g/mol
Exact Mass482.06
IUPAC Name2-bromo-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESCc1nc(C2(NC(=O)c3cc(S(=O)(=O)N4CCCC4)ccc3Br)CCCC2)no1
InChIInChI=1S/C19H23BrN4O4S/c1-13-21-18(23-28-13)19(8-2-3-9-19)22-17(25)15-12-14(6-7-16(15)20)29(26,27)24-10-4-5-11-24/h6-7,12H,2-5,8-11H2,1H3,(H,22,25)
InChIKeyZOSZSIANLNXVAN-UHFFFAOYSA-N
XLogP3.12
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-morpholin-4-ylsulfonylbenzamide
CID 55672473
2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-morpholin-4-ylsulfonylbenzamide
CID 55622510
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55622459
2-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-5-morpholin-4-ylsulfonylbenzamide
CID 55528408
4-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55622238
2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 55622088
1-(4-fluorophenyl)sulfonyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]piperidine-3-carboxamide
CID 55621991
2-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 55520393
2-bromo-N-(4-methyl-1,3-thiazol-2-yl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26362599
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55528409
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-methylsulfonylbenzamide
CID 55528264
4-[(3,4-dimethylphenyl)sulfonylamino]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide
CID 60559986

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-5-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-bromo-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-5-pyrrolidin-1-ylsulfonylbenzamide (CID 55538923) is 2-bromo-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-5-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-bromo-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-5-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-bromo-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-5-pyrrolidin-1-ylsulfonylbenzamide is Cc1nc(C2(NC(=O)c3cc(S(=O)(=O)N4CCCC4)ccc3Br)CCCC2)no1.
What is the InChIKey of 2-bromo-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-5-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is ZOSZSIANLNXVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN4O4S/c1-13-21-18(23-28-13)19(8-2-3-9-19)22-17(25)15-12-14(6-7-16(15)20)29(26,27)24-10-4-5-11-24/h6-7,12H,2-5,8-11H2,1H3,(H,22,25).
What are the key properties of 2-bromo-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-5-pyrrolidin-1-ylsulfonylbenzamide?
2-bromo-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-5-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 483.39 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-5-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 55538923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).