3-cyclohexyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]propanamide

C20H27N3O4S — CID 2059808

IUPAC3-cyclohexyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]propanamide
SMILESCc1noc(NS(=O)(=O)c2ccc(NC(=O)CCC3CCCCC3)cc2)c1C
InChIInChI=1S/C20H27N3O4S/c1-14-15(2)22-27-20(14)23-28(25,26)18-11-9-17(10-12-18)21-19(24)13-8-16-6-4-3-5-7-16/h9-12,16,23H,3-8,13H2,1-2H3,(H,21,24)
InChIKeyNLVKXOKOHKJINU-UHFFFAOYSA-N
MW405.52 g/mol
LogP4.39
Rot. Bonds7

About 3-cyclohexyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]propanamide

3-cyclohexyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]propanamide (PubChem CID 2059808) has the molecular formula C20H27N3O4S and a molecular weight of 405.52 g/mol. Its IUPAC name is 3-cyclohexyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]propanamide
PubChem CID2059808
Molecular FormulaC20H27N3O4S
Molecular Weight405.52 g/mol
Exact Mass405.17
IUPAC Name3-cyclohexyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]propanamide
SMILESCc1noc(NS(=O)(=O)c2ccc(NC(=O)CCC3CCCCC3)cc2)c1C
InChIInChI=1S/C20H27N3O4S/c1-14-15(2)22-27-20(14)23-28(25,26)18-11-9-17(10-12-18)21-19(24)13-8-16-6-4-3-5-7-16/h9-12,16,23H,3-8,13H2,1-2H3,(H,21,24)
InChIKeyNLVKXOKOHKJINU-UHFFFAOYSA-N
XLogP4.39
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]propanamide (CID 2059808) is 3-cyclohexyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]propanamide is Cc1noc(NS(=O)(=O)c2ccc(NC(=O)CCC3CCCCC3)cc2)c1C.
What is the InChIKey of 3-cyclohexyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]propanamide?
The InChIKey is NLVKXOKOHKJINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S/c1-14-15(2)22-27-20(14)23-28(25,26)18-11-9-17(10-12-18)21-19(24)13-8-16-6-4-3-5-7-16/h9-12,16,23H,3-8,13H2,1-2H3,(H,21,24).
What are the key properties of 3-cyclohexyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]propanamide?
3-cyclohexyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]propanamide has a molecular weight of 405.52 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 2059808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).