N,2-diethyl-N-(4-methoxyphenyl)-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide

C21H24N2O4S — CID 20936436

IUPACN,2-diethyl-N-(4-methoxyphenyl)-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N(CC)c1ccc(OC)cc1
InChIInChI=1S/C21H24N2O4S/c1-5-16-7-8-17(20-13-15(3)22-27-20)14-21(16)28(24,25)23(6-2)18-9-11-19(26-4)12-10-18/h7-14H,5-6H2,1-4H3
InChIKeyTVXSEGVBTPQGOM-UHFFFAOYSA-N
MW400.50 g/mol
LogP4.44
Rot. Bonds7

About N,2-diethyl-N-(4-methoxyphenyl)-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide

N,2-diethyl-N-(4-methoxyphenyl)-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide (PubChem CID 20936436) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is N,2-diethyl-N-(4-methoxyphenyl)-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN,2-diethyl-N-(4-methoxyphenyl)-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
PubChem CID20936436
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC NameN,2-diethyl-N-(4-methoxyphenyl)-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N(CC)c1ccc(OC)cc1
InChIInChI=1S/C21H24N2O4S/c1-5-16-7-8-17(20-13-15(3)22-27-20)14-21(16)28(24,25)23(6-2)18-9-11-19(26-4)12-10-18/h7-14H,5-6H2,1-4H3
InChIKeyTVXSEGVBTPQGOM-UHFFFAOYSA-N
XLogP4.44
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20934937
N-(3,4-dimethylphenyl)-2-methoxy-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20936124
N-(4-methoxyphenyl)-2-methyl-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 53094959
methyl 3-(N-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylanilino)propanoate
CID 24793684
N-(2-fluorophenyl)-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-propylbenzenesulfonamide
CID 20936125
2-ethyl-N-(4-ethylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20936343
2-ethyl-5-(3-methyl-1,2-oxazol-5-yl)-N-pyridin-2-ylbenzenesulfonamide
CID 20936416
2-ethyl-N-[(4-fluorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 20936453
2-ethyl-N-(3-ethylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20936387
2-amino-5-bromo-N-ethyl-N-(4-methoxyphenyl)pyridine-3-sulfonamide
CID 22515945
3-ethyl-5-(4-methoxyphenyl)-1,2-oxazole
CID 59226263
N-[[4-(dimethylamino)phenyl]methyl]-2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 53094849

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-N-(4-methoxyphenyl)-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of N,2-diethyl-N-(4-methoxyphenyl)-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide (CID 20936436) is N,2-diethyl-N-(4-methoxyphenyl)-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N,2-diethyl-N-(4-methoxyphenyl)-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for N,2-diethyl-N-(4-methoxyphenyl)-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide is CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N(CC)c1ccc(OC)cc1.
What is the InChIKey of N,2-diethyl-N-(4-methoxyphenyl)-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
The InChIKey is TVXSEGVBTPQGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4S/c1-5-16-7-8-17(20-13-15(3)22-27-20)14-21(16)28(24,25)23(6-2)18-9-11-19(26-4)12-10-18/h7-14H,5-6H2,1-4H3.
What are the key properties of N,2-diethyl-N-(4-methoxyphenyl)-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
N,2-diethyl-N-(4-methoxyphenyl)-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide has a molecular weight of 400.50 g/mol, XLogP of 4.44, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-N-(4-methoxyphenyl)-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 20936436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).