[4-(3-cyclohexylpropanoylamino)phenyl]sulfonyl-(3,4-dimethyl-1,2-oxazol-5-yl)azanide

C20H26N3O4S- — CID 2059807

IUPAC[4-(3-cyclohexylpropanoylamino)phenyl]sulfonyl-(3,4-dimethyl-1,2-oxazol-5-yl)azanide
SMILESCc1noc([N-]S(=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/h9-12,16H,3-8,13H2,1-2H3,(H2,21,22,23,24)/p-1
InChIKeyISLPTRUUWGYTMS-UHFFFAOYSA-M
MW404.51 g/mol
LogP4.98
Rot. Bonds7

About [4-(3-cyclohexylpropanoylamino)phenyl]sulfonyl-(3,4-dimethyl-1,2-oxazol-5-yl)azanide

[4-(3-cyclohexylpropanoylamino)phenyl]sulfonyl-(3,4-dimethyl-1,2-oxazol-5-yl)azanide (PubChem CID 2059807) has the molecular formula C20H26N3O4S- and a molecular weight of 404.51 g/mol. Its IUPAC name is [4-(3-cyclohexylpropanoylamino)phenyl]sulfonyl-(3,4-dimethyl-1,2-oxazol-5-yl)azanide.

Molecular Properties

Compound Name[4-(3-cyclohexylpropanoylamino)phenyl]sulfonyl-(3,4-dimethyl-1,2-oxazol-5-yl)azanide
PubChem CID2059807
Molecular FormulaC20H26N3O4S-
Molecular Weight404.51 g/mol
Exact Mass404.16
IUPAC Name[4-(3-cyclohexylpropanoylamino)phenyl]sulfonyl-(3,4-dimethyl-1,2-oxazol-5-yl)azanide
SMILESCc1noc([N-]S(=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/h9-12,16H,3-8,13H2,1-2H3,(H2,21,22,23,24)/p-1
InChIKeyISLPTRUUWGYTMS-UHFFFAOYSA-M
XLogP4.98
TPSA103.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(3-cyclohexylpropanoylamino)phenyl]sulfonyl-(3,4-dimethyl-1,2-oxazol-5-yl)azanide with MolForge

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Related Compounds

[4-[(4-chlorobenzoyl)amino]phenyl]sulfonyl-(3,4-dimethyl-1,2-oxazol-5-yl)azanide
CID 4747510
3-cyclohexyl-N-[4-(dibutylsulfamoyl)phenyl]propanamide
CID 3715174
3-cyclopentyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 1224874
3-cyclohexyl-N-(4-sulfanylphenyl)propanamide
CID 27125888
[4-(butanoylamino)phenyl]sulfonyl-(5-methyl-1,2-oxazol-3-yl)azanide
CID 4108465
N-(4-methylsulfonylphenyl)-3-piperidin-4-ylpropanamide
CID 62211718
N-(4-acetylphenyl)-3-cyclopentylpropanamide
CID 835633
3-cyclohexyl-N-[4-(3-methoxypropylsulfamoyl)phenyl]propanamide
CID 5031253
3-cyclohexyl-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]propanamide
CID 18567874
3-cyclopentyl-N-(4-methoxyphenyl)propanamide
CID 835546
3-cyclohexyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide
CID 1222303
N-(4-cyclopentylsulfonylphenyl)butanamide
CID 110778666

Frequently Asked Questions

What is the IUPAC name of [4-(3-cyclohexylpropanoylamino)phenyl]sulfonyl-(3,4-dimethyl-1,2-oxazol-5-yl)azanide?
The IUPAC name of [4-(3-cyclohexylpropanoylamino)phenyl]sulfonyl-(3,4-dimethyl-1,2-oxazol-5-yl)azanide (CID 2059807) is [4-(3-cyclohexylpropanoylamino)phenyl]sulfonyl-(3,4-dimethyl-1,2-oxazol-5-yl)azanide.
What is the SMILES notation for [4-(3-cyclohexylpropanoylamino)phenyl]sulfonyl-(3,4-dimethyl-1,2-oxazol-5-yl)azanide?
The canonical SMILES for [4-(3-cyclohexylpropanoylamino)phenyl]sulfonyl-(3,4-dimethyl-1,2-oxazol-5-yl)azanide is Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)CCC3CCCCC3)cc2)c1C.
What is the InChIKey of [4-(3-cyclohexylpropanoylamino)phenyl]sulfonyl-(3,4-dimethyl-1,2-oxazol-5-yl)azanide?
The InChIKey is ISLPTRUUWGYTMS-UHFFFAOYSA-M. 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/h9-12,16H,3-8,13H2,1-2H3,(H2,21,22,23,24)/p-1.
What are the key properties of [4-(3-cyclohexylpropanoylamino)phenyl]sulfonyl-(3,4-dimethyl-1,2-oxazol-5-yl)azanide?
[4-(3-cyclohexylpropanoylamino)phenyl]sulfonyl-(3,4-dimethyl-1,2-oxazol-5-yl)azanide has a molecular weight of 404.51 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-cyclohexylpropanoylamino)phenyl]sulfonyl-(3,4-dimethyl-1,2-oxazol-5-yl)azanide is sourced from PubChem (CID 2059807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).