N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-4-propan-2-ylbenzenesulfonamide

C20H22N2O3S — CID 110417096

IUPACN-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-4-propan-2-ylbenzenesulfonamide
SMILESCc1nc(-c2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc2)c(C)o1
InChIInChI=1S/C20H22N2O3S/c1-13(2)16-7-11-19(12-8-16)26(23,24)22-18-9-5-17(6-10-18)20-14(3)25-15(4)21-20/h5-13,22H,1-4H3
InChIKeyJPAJKAQGKGULRP-UHFFFAOYSA-N
MW370.47 g/mol
LogP4.88
Rot. Bonds5

About N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-4-propan-2-ylbenzenesulfonamide

N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-4-propan-2-ylbenzenesulfonamide (PubChem CID 110417096) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-4-propan-2-ylbenzenesulfonamide
PubChem CID110417096
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-4-propan-2-ylbenzenesulfonamide
SMILESCc1nc(-c2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc2)c(C)o1
InChIInChI=1S/C20H22N2O3S/c1-13(2)16-7-11-19(12-8-16)26(23,24)22-18-9-5-17(6-10-18)20-14(3)25-15(4)21-20/h5-13,22H,1-4H3
InChIKeyJPAJKAQGKGULRP-UHFFFAOYSA-N
XLogP4.88
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 110417093
3-chloro-N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]benzenesulfonamide
CID 110642631
4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 110419289
4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(3-methoxyphenyl)benzenesulfonamide
CID 110421983
4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-methoxybenzenesulfonamide
CID 110611820
N-[2-(diethylamino)propyl]-4-(2,5-dimethyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 110620380
4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-methoxyphenyl)benzenesulfonamide
CID 110421910
4-propan-2-yl-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 22202745
4-methyl-N-[4-[(4-propan-2-ylphenyl)methylsulfanyl]phenyl]benzenesulfonamide
CID 141122627
4-[(4-propan-2-ylphenyl)sulfonylamino]benzoic acid
CID 7574220
4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3791590
N-(4-propan-2-ylphenyl)naphthalene-2-sulfonamide
CID 3997695

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-4-propan-2-ylbenzenesulfonamide (CID 110417096) is N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-4-propan-2-ylbenzenesulfonamide is Cc1nc(-c2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc2)c(C)o1.
What is the InChIKey of N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-4-propan-2-ylbenzenesulfonamide?
The InChIKey is JPAJKAQGKGULRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-13(2)16-7-11-19(12-8-16)26(23,24)22-18-9-5-17(6-10-18)20-14(3)25-15(4)21-20/h5-13,22H,1-4H3.
What are the key properties of N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-4-propan-2-ylbenzenesulfonamide?
N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-4-propan-2-ylbenzenesulfonamide has a molecular weight of 370.47 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 110417096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).