N-(4-cyanophenyl)-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide

C20H19N3O3S — CID 46335665

IUPACN-(4-cyanophenyl)-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide
SMILESCc1cc(-c2ccc(C(C)C)c(S(=O)(=O)Nc3ccc(C#N)cc3)c2)on1
InChIInChI=1S/C20H19N3O3S/c1-13(2)18-9-6-16(19-10-14(3)22-26-19)11-20(18)27(24,25)23-17-7-4-15(12-21)5-8-17/h4-11,13,23H,1-3H3
InChIKeyDOSSKQQTRIAFSD-UHFFFAOYSA-N
MW381.46 g/mol
LogP4.45
Rot. Bonds5

About N-(4-cyanophenyl)-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide

N-(4-cyanophenyl)-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide (PubChem CID 46335665) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-(4-cyanophenyl)-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide
PubChem CID46335665
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC NameN-(4-cyanophenyl)-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide
SMILESCc1cc(-c2ccc(C(C)C)c(S(=O)(=O)Nc3ccc(C#N)cc3)c2)on1
InChIInChI=1S/C20H19N3O3S/c1-13(2)18-9-6-16(19-10-14(3)22-26-19)11-20(18)27(24,25)23-17-7-4-15(12-21)5-8-17/h4-11,13,23H,1-3H3
InChIKeyDOSSKQQTRIAFSD-UHFFFAOYSA-N
XLogP4.45
TPSA95.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylphenyl]sulfonylamino]phenyl]acetamide
CID 46335667
5-(3-methyl-1,2-oxazol-5-yl)-N-(2-methylphenyl)-2-propan-2-ylbenzenesulfonamide
CID 20936493
5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide
CID 20936526
2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 20935095
N-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide
CID 20936500
N-(5-chloro-2-pyridinyl)-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide
CID 20936462
2-ethyl-N-(4-ethylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20936343
5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-yl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 20936463
N-(4-methoxyphenyl)-2-methyl-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 53094959
2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-propan-2-ylbenzenesulfonamide
CID 20934958
N-[4-[[2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide
CID 53094837
2-ethyl-N-(3-ethylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20936387

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-(4-cyanophenyl)-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide (CID 46335665) is N-(4-cyanophenyl)-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(4-cyanophenyl)-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-(4-cyanophenyl)-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide is Cc1cc(-c2ccc(C(C)C)c(S(=O)(=O)Nc3ccc(C#N)cc3)c2)on1.
What is the InChIKey of N-(4-cyanophenyl)-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide?
The InChIKey is DOSSKQQTRIAFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-13(2)18-9-6-16(19-10-14(3)22-26-19)11-20(18)27(24,25)23-17-7-4-15(12-21)5-8-17/h4-11,13,23H,1-3H3.
What are the key properties of N-(4-cyanophenyl)-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide?
N-(4-cyanophenyl)-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide has a molecular weight of 381.46 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 46335665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).