3-cyclohexyl-N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-pyrimidin-2-ylphenyl]methyl]-N-methylpropanamide

C32H37N5O4S — CID 18663196

IUPAC3-cyclohexyl-N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-pyrimidin-2-ylphenyl]methyl]-N-methylpropanamide
SMILESCc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncccn3)cc2CN(C)C(=O)CCC2CCCCC2)c1C
InChIInChI=1S/C32H37N5O4S/c1-22-23(2)35-41-32(22)36-42(39,40)29-13-8-7-12-28(29)27-16-15-25(31-33-18-9-19-34-31)20-26(27)21-37(3)30(38)17-14-24-10-5-4-6-11-24/h7-9,12-13,15-16,18-20,24,36H,4-6,10-11,14,17,21H2,1-3H3
InChIKeyMOBZNOAWOGDHHB-UHFFFAOYSA-N
MW587.75 g/mol
LogP6.54
Rot. Bonds10

About 3-cyclohexyl-N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-pyrimidin-2-ylphenyl]methyl]-N-methylpropanamide

3-cyclohexyl-N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-pyrimidin-2-ylphenyl]methyl]-N-methylpropanamide (PubChem CID 18663196) has the molecular formula C32H37N5O4S and a molecular weight of 587.75 g/mol. Its IUPAC name is 3-cyclohexyl-N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-pyrimidin-2-ylphenyl]methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-pyrimidin-2-ylphenyl]methyl]-N-methylpropanamide
PubChem CID18663196
Molecular FormulaC32H37N5O4S
Molecular Weight587.75 g/mol
Exact Mass587.26
IUPAC Name3-cyclohexyl-N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-pyrimidin-2-ylphenyl]methyl]-N-methylpropanamide
SMILESCc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncccn3)cc2CN(C)C(=O)CCC2CCCCC2)c1C
InChIInChI=1S/C32H37N5O4S/c1-22-23(2)35-41-32(22)36-42(39,40)29-13-8-7-12-28(29)27-16-15-25(31-33-18-9-19-34-31)20-26(27)21-37(3)30(38)17-14-24-10-5-4-6-11-24/h7-9,12-13,15-16,18-20,24,36H,4-6,10-11,14,17,21H2,1-3H3
InChIKeyMOBZNOAWOGDHHB-UHFFFAOYSA-N
XLogP6.54
TPSA118.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.75
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-pyrimidin-2-ylphenyl]methyl]-N-methylpropanamide?
The IUPAC name of 3-cyclohexyl-N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-pyrimidin-2-ylphenyl]methyl]-N-methylpropanamide (CID 18663196) is 3-cyclohexyl-N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-pyrimidin-2-ylphenyl]methyl]-N-methylpropanamide.
What is the SMILES notation for 3-cyclohexyl-N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-pyrimidin-2-ylphenyl]methyl]-N-methylpropanamide?
The canonical SMILES for 3-cyclohexyl-N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-pyrimidin-2-ylphenyl]methyl]-N-methylpropanamide is Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncccn3)cc2CN(C)C(=O)CCC2CCCCC2)c1C.
What is the InChIKey of 3-cyclohexyl-N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-pyrimidin-2-ylphenyl]methyl]-N-methylpropanamide?
The InChIKey is MOBZNOAWOGDHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N5O4S/c1-22-23(2)35-41-32(22)36-42(39,40)29-13-8-7-12-28(29)27-16-15-25(31-33-18-9-19-34-31)20-26(27)21-37(3)30(38)17-14-24-10-5-4-6-11-24/h7-9,12-13,15-16,18-20,24,36H,4-6,10-11,14,17,21H2,1-3H3.
What are the key properties of 3-cyclohexyl-N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-pyrimidin-2-ylphenyl]methyl]-N-methylpropanamide?
3-cyclohexyl-N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-pyrimidin-2-ylphenyl]methyl]-N-methylpropanamide has a molecular weight of 587.75 g/mol, XLogP of 6.54, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-pyrimidin-2-ylphenyl]methyl]-N-methylpropanamide is sourced from PubChem (CID 18663196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).