N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(2-hydroxyethylamino)-4-(2-methylpropyl)phenyl]benzenesulfonamide

C23H29N3O4S — CID 10503421

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(2-hydroxyethylamino)-4-(2-methylpropyl)phenyl]benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccccc2-c2ccc(CC(C)C)cc2NCCO)c1C
InChIInChI=1S/C23H29N3O4S/c1-15(2)13-18-9-10-19(21(14-18)24-11-12-27)20-7-5-6-8-22(20)31(28,29)26-23-16(3)17(4)25-30-23/h5-10,14-15,24,26-27H,11-13H2,1-4H3
InChIKeyZEQJICZEBFNYMX-UHFFFAOYSA-N
MW443.57 g/mol
LogP4.36
Rot. Bonds9

About N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(2-hydroxyethylamino)-4-(2-methylpropyl)phenyl]benzenesulfonamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(2-hydroxyethylamino)-4-(2-methylpropyl)phenyl]benzenesulfonamide (PubChem CID 10503421) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(2-hydroxyethylamino)-4-(2-methylpropyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(2-hydroxyethylamino)-4-(2-methylpropyl)phenyl]benzenesulfonamide
PubChem CID10503421
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(2-hydroxyethylamino)-4-(2-methylpropyl)phenyl]benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccccc2-c2ccc(CC(C)C)cc2NCCO)c1C
InChIInChI=1S/C23H29N3O4S/c1-15(2)13-18-9-10-19(21(14-18)24-11-12-27)20-7-5-6-8-22(20)31(28,29)26-23-16(3)17(4)25-30-23/h5-10,14-15,24,26-27H,11-13H2,1-4H3
InChIKeyZEQJICZEBFNYMX-UHFFFAOYSA-N
XLogP4.36
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(2-hydroxyethylamino)-4-(2-methylpropyl)phenyl]benzenesulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(2-hydroxyethylamino)-4-(2-methylpropyl)phenyl]benzenesulfonamide (CID 10503421) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(2-hydroxyethylamino)-4-(2-methylpropyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(2-hydroxyethylamino)-4-(2-methylpropyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(2-hydroxyethylamino)-4-(2-methylpropyl)phenyl]benzenesulfonamide is Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(CC(C)C)cc2NCCO)c1C.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(2-hydroxyethylamino)-4-(2-methylpropyl)phenyl]benzenesulfonamide?
The InChIKey is ZEQJICZEBFNYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-15(2)13-18-9-10-19(21(14-18)24-11-12-27)20-7-5-6-8-22(20)31(28,29)26-23-16(3)17(4)25-30-23/h5-10,14-15,24,26-27H,11-13H2,1-4H3.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(2-hydroxyethylamino)-4-(2-methylpropyl)phenyl]benzenesulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(2-hydroxyethylamino)-4-(2-methylpropyl)phenyl]benzenesulfonamide has a molecular weight of 443.57 g/mol, XLogP of 4.36, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(2-hydroxyethylamino)-4-(2-methylpropyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 10503421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).