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

C23H28N2O5S — CID 10670965

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(2-hydroxyethoxy)-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2cccc(OCCO)c2-c2ccc(CC(C)C)cc2)c1C
InChIInChI=1S/C23H28N2O5S/c1-15(2)14-18-8-10-19(11-9-18)22-20(29-13-12-26)6-5-7-21(22)31(27,28)25-23-16(3)17(4)24-30-23/h5-11,15,25-26H,12-14H2,1-4H3
InChIKeyMREAACATPHJTCH-UHFFFAOYSA-N
MW444.55 g/mol
LogP4.33
Rot. Bonds9

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

N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(2-hydroxyethoxy)-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide (PubChem CID 10670965) has the molecular formula C23H28N2O5S and a molecular weight of 444.55 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(2-hydroxyethoxy)-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(2-hydroxyethoxy)-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide
PubChem CID10670965
Molecular FormulaC23H28N2O5S
Molecular Weight444.55 g/mol
Exact Mass444.17
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(2-hydroxyethoxy)-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2cccc(OCCO)c2-c2ccc(CC(C)C)cc2)c1C
InChIInChI=1S/C23H28N2O5S/c1-15(2)14-18-8-10-19(11-9-18)22-20(29-13-12-26)6-5-7-21(22)31(27,28)25-23-16(3)17(4)24-30-23/h5-11,15,25-26H,12-14H2,1-4H3
InChIKeyMREAACATPHJTCH-UHFFFAOYSA-N
XLogP4.33
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.55
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(2-hydroxyethoxy)-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide with MolForge

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Related Compounds

2''-Hydroxymethyl-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 9950670
4-Hydroxy-4''-isobutyl-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 10501166
2''-Hydroxymethyl-4''-isobutyl-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 10501931
4''-Isobutoxy-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 10525034
4''-Isobutyl-2''-methoxy-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 10597897
4''-Isopropoxy-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 10620185
2''-Hydroxy-4''-isobutyl-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 10668703
4''-Isobutyl-5-methoxy-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 10693130
4''-Methoxy-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 10713411
4''-Benzyloxy-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 10836583
N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methoxy-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide
CID 10549727
N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-hydroxy-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide
CID 10621010

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(2-hydroxyethoxy)-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(2-hydroxyethoxy)-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide (CID 10670965) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(2-hydroxyethoxy)-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(2-hydroxyethoxy)-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(2-hydroxyethoxy)-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide is Cc1noc(NS(=O)(=O)c2cccc(OCCO)c2-c2ccc(CC(C)C)cc2)c1C.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(2-hydroxyethoxy)-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide?
The InChIKey is MREAACATPHJTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5S/c1-15(2)14-18-8-10-19(11-9-18)22-20(29-13-12-26)6-5-7-21(22)31(27,28)25-23-16(3)17(4)24-30-23/h5-11,15,25-26H,12-14H2,1-4H3.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(2-hydroxyethoxy)-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(2-hydroxyethoxy)-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide has a molecular weight of 444.55 g/mol, XLogP of 4.33, 9 rotatable bonds, 2 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)-3-(2-hydroxyethoxy)-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 10670965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).