4-(diethylsulfamoyl)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide

C22H25N3O5S — CID 16867195

IUPAC4-(diethylsulfamoyl)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2cc(-c3ccc(OC)cc3)on2)cc1
InChIInChI=1S/C22H25N3O5S/c1-4-25(5-2)31(27,28)20-12-8-17(9-13-20)22(26)23-15-18-14-21(30-24-18)16-6-10-19(29-3)11-7-16/h6-14H,4-5,15H2,1-3H3,(H,23,26)
InChIKeyRKCBQNONDGRTTN-UHFFFAOYSA-N
MW443.53 g/mol
LogP3.31
Rot. Bonds9

About 4-(diethylsulfamoyl)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide

4-(diethylsulfamoyl)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide (PubChem CID 16867195) has the molecular formula C22H25N3O5S and a molecular weight of 443.53 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
PubChem CID16867195
Molecular FormulaC22H25N3O5S
Molecular Weight443.53 g/mol
Exact Mass443.15
IUPAC Name4-(diethylsulfamoyl)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2cc(-c3ccc(OC)cc3)on2)cc1
InChIInChI=1S/C22H25N3O5S/c1-4-25(5-2)31(27,28)20-12-8-17(9-13-20)22(26)23-15-18-14-21(30-24-18)16-6-10-19(29-3)11-7-16/h6-14H,4-5,15H2,1-3H3,(H,23,26)
InChIKeyRKCBQNONDGRTTN-UHFFFAOYSA-N
XLogP3.31
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(diethylsulfamoyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47728458
4-methoxy-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866605
N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 16867196
N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-(dimethylsulfamoyl)benzamide
CID 16867321
4-(diethylsulfamoyl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
CID 56524736
4-methoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866986
4-(diethylsulfamoyl)-N-[(3,5-dimethoxyphenyl)methyl]benzamide
CID 46586645
N-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]-4-methoxybenzamide
CID 110314743
4-(diethylsulfamoyl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]benzamide
CID 90549009
4-butoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866990
N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-methoxybenzamide
CID 16866858
3-(diethylsulfamoyl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47728860

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide (CID 16867195) is 4-(diethylsulfamoyl)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2cc(-c3ccc(OC)cc3)on2)cc1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide?
The InChIKey is RKCBQNONDGRTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5S/c1-4-25(5-2)31(27,28)20-12-8-17(9-13-20)22(26)23-15-18-14-21(30-24-18)16-6-10-19(29-3)11-7-16/h6-14H,4-5,15H2,1-3H3,(H,23,26).
What are the key properties of 4-(diethylsulfamoyl)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide?
4-(diethylsulfamoyl)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide has a molecular weight of 443.53 g/mol, XLogP of 3.31, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide is sourced from PubChem (CID 16867195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).