4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-propan-2-ylphenyl)benzenesulfonamide

C20H22N2O3S — CID 110419289

IUPAC4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-propan-2-ylphenyl)benzenesulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)Nc3ccccc3C(C)C)cc2)c(C)o1
InChIInChI=1S/C20H22N2O3S/c1-13(2)18-7-5-6-8-19(18)22-26(23,24)17-11-9-16(10-12-17)20-14(3)25-15(4)21-20/h5-13,22H,1-4H3
InChIKeyYLKCBWCLWMPENY-UHFFFAOYSA-N
MW370.47 g/mol
LogP4.88
Rot. Bonds5

About 4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-propan-2-ylphenyl)benzenesulfonamide

4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-propan-2-ylphenyl)benzenesulfonamide (PubChem CID 110419289) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-propan-2-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-propan-2-ylphenyl)benzenesulfonamide
PubChem CID110419289
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-propan-2-ylphenyl)benzenesulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)Nc3ccccc3C(C)C)cc2)c(C)o1
InChIInChI=1S/C20H22N2O3S/c1-13(2)18-7-5-6-8-19(18)22-26(23,24)17-11-9-16(10-12-17)20-14(3)25-15(4)21-20/h5-13,22H,1-4H3
InChIKeyYLKCBWCLWMPENY-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

4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-methoxyphenyl)benzenesulfonamide
CID 110421910
N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-4-propan-2-ylbenzenesulfonamide
CID 110417096
N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 110417093
4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-methoxybenzenesulfonamide
CID 110611820
4-(methylamino)-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 43332053
4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(3-methoxyphenyl)benzenesulfonamide
CID 110421983
4-(aminomethyl)-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 29045454
6-amino-N-(2-propan-2-ylphenyl)pyridine-3-sulfonamide
CID 62149213
3-chloro-N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]benzenesulfonamide
CID 110642631
N-(2-propan-2-ylphenyl)pyridine-3-sulfonamide
CID 110865788
5-(hydroxymethyl)-N-(2-propan-2-ylphenyl)furan-2-sulfonamide
CID 107813315
4-methyl-N-(2-methyl-1,3-benzoxazol-4-yl)benzenesulfonamide
CID 169371778

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-propan-2-ylphenyl)benzenesulfonamide?
The IUPAC name of 4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-propan-2-ylphenyl)benzenesulfonamide (CID 110419289) is 4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-propan-2-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-propan-2-ylphenyl)benzenesulfonamide?
The canonical SMILES for 4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-propan-2-ylphenyl)benzenesulfonamide is Cc1nc(-c2ccc(S(=O)(=O)Nc3ccccc3C(C)C)cc2)c(C)o1.
What is the InChIKey of 4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-propan-2-ylphenyl)benzenesulfonamide?
The InChIKey is YLKCBWCLWMPENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-13(2)18-7-5-6-8-19(18)22-26(23,24)17-11-9-16(10-12-17)20-14(3)25-15(4)21-20/h5-13,22H,1-4H3.
What are the key properties of 4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-propan-2-ylphenyl)benzenesulfonamide?
4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-propan-2-ylphenyl)benzenesulfonamide 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 4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-propan-2-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 110419289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).