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

C20H26N4O6S — CID 55528408

IUPAC2-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-5-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC1(c2noc(C)n2)CCCC1
InChIInChI=1S/C20H26N4O6S/c1-14-21-19(23-30-14)20(7-3-4-8-20)22-18(25)16-13-15(5-6-17(16)28-2)31(26,27)24-9-11-29-12-10-24/h5-6,13H,3-4,7-12H2,1-2H3,(H,22,25)
InChIKeyUFQMJUGKNIPSAT-UHFFFAOYSA-N
MW450.52 g/mol
LogP1.61
Rot. Bonds6

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

2-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 55528408) has the molecular formula C20H26N4O6S and a molecular weight of 450.52 g/mol. Its IUPAC name is 2-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-5-morpholin-4-ylsulfonylbenzamide
PubChem CID55528408
Molecular FormulaC20H26N4O6S
Molecular Weight450.52 g/mol
Exact Mass450.16
IUPAC Name2-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-5-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC1(c2noc(C)n2)CCCC1
InChIInChI=1S/C20H26N4O6S/c1-14-21-19(23-30-14)20(7-3-4-8-20)22-18(25)16-13-15(5-6-17(16)28-2)31(26,27)24-9-11-29-12-10-24/h5-6,13H,3-4,7-12H2,1-2H3,(H,22,25)
InChIKeyUFQMJUGKNIPSAT-UHFFFAOYSA-N
XLogP1.61
TPSA123.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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
2-bromo-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55538923
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55622459
N-cyclopropyl-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 26736864
2-methoxy-N'-(4-methoxybenzoyl)-5-morpholin-4-ylsulfonylbenzohydrazide
CID 24536047
3-fluoro-4-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]benzamide
CID 31164048
N-(2,4-dimethylpentan-3-yl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 28591079
2-methoxy-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 55450676
4-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55622238
2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 7223581
2-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5-morpholin-4-ylsulfonylbenzamide
CID 28631613

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 2-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-5-morpholin-4-ylsulfonylbenzamide (CID 55528408) is 2-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 2-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 2-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-5-morpholin-4-ylsulfonylbenzamide is COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC1(c2noc(C)n2)CCCC1.
What is the InChIKey of 2-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is UFQMJUGKNIPSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O6S/c1-14-21-19(23-30-14)20(7-3-4-8-20)22-18(25)16-13-15(5-6-17(16)28-2)31(26,27)24-9-11-29-12-10-24/h5-6,13H,3-4,7-12H2,1-2H3,(H,22,25).
What are the key properties of 2-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-5-morpholin-4-ylsulfonylbenzamide?
2-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 450.52 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 55528408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).