N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(4-ethylphenoxy)propanamide

C22H25N3O5S — CID 108795812

IUPACN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(4-ethylphenoxy)propanamide
SMILESCCc1ccc(OCCC(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc1
InChIInChI=1S/C22H25N3O5S/c1-4-17-5-9-19(10-6-17)29-14-13-21(26)23-18-7-11-20(12-8-18)31(27,28)25-22-15(2)16(3)24-30-22/h5-12,25H,4,13-14H2,1-3H3,(H,23,26)
InChIKeySVNZPRUMOIBGER-UHFFFAOYSA-N
MW443.53 g/mol
LogP4.06
Rot. Bonds9

About N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(4-ethylphenoxy)propanamide

N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(4-ethylphenoxy)propanamide (PubChem CID 108795812) has the molecular formula C22H25N3O5S and a molecular weight of 443.53 g/mol. Its IUPAC name is N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(4-ethylphenoxy)propanamide.

Molecular Properties

Compound NameN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(4-ethylphenoxy)propanamide
PubChem CID108795812
Molecular FormulaC22H25N3O5S
Molecular Weight443.53 g/mol
Exact Mass443.15
IUPAC NameN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(4-ethylphenoxy)propanamide
SMILESCCc1ccc(OCCC(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc1
InChIInChI=1S/C22H25N3O5S/c1-4-17-5-9-19(10-6-17)29-14-13-21(26)23-18-7-11-20(12-8-18)31(27,28)25-22-15(2)16(3)24-30-22/h5-12,25H,4,13-14H2,1-3H3,(H,23,26)
InChIKeySVNZPRUMOIBGER-UHFFFAOYSA-N
XLogP4.06
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-methylphenoxy)acetamide
CID 987756
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-ethylbenzamide
CID 19225858
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)acetamide
CID 1106454
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-phenoxyacetamide
CID 659894
ethyl N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]carbamate
CID 841728
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-ethylbutanamide
CID 3456725
2-(3,4-dimethoxyphenyl)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetamide
CID 2894223
4-(4-ethylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
CID 19176564
3-(4-ethylphenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 108807272
(E)-2-cyano-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(4-propoxyphenyl)prop-2-enamide
CID 19177177
N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[[(E)-3-(4-ethylphenyl)-3-oxoprop-1-enyl]amino]benzenesulfonamide
CID 12005484
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16954988

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(4-ethylphenoxy)propanamide?
The IUPAC name of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(4-ethylphenoxy)propanamide (CID 108795812) is N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(4-ethylphenoxy)propanamide.
What is the SMILES notation for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(4-ethylphenoxy)propanamide?
The canonical SMILES for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(4-ethylphenoxy)propanamide is CCc1ccc(OCCC(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc1.
What is the InChIKey of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(4-ethylphenoxy)propanamide?
The InChIKey is SVNZPRUMOIBGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5S/c1-4-17-5-9-19(10-6-17)29-14-13-21(26)23-18-7-11-20(12-8-18)31(27,28)25-22-15(2)16(3)24-30-22/h5-12,25H,4,13-14H2,1-3H3,(H,23,26).
What are the key properties of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(4-ethylphenoxy)propanamide?
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(4-ethylphenoxy)propanamide has a molecular weight of 443.53 g/mol, XLogP of 4.06, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(4-ethylphenoxy)propanamide is sourced from PubChem (CID 108795812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).