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

C17H23N3O4S — CID 47728860

IUPAC3-(diethylsulfamoyl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NCc2cc(C)on2)ccc1C
InChIInChI=1S/C17H23N3O4S/c1-5-20(6-2)25(22,23)16-10-14(8-7-12(16)3)17(21)18-11-15-9-13(4)24-19-15/h7-10H,5-6,11H2,1-4H3,(H,18,21)
InChIKeyMSYBLNSIWCYURH-UHFFFAOYSA-N
MW365.46 g/mol
LogP2.25
Rot. Bonds7

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

3-(diethylsulfamoyl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide (PubChem CID 47728860) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
PubChem CID47728860
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC Name3-(diethylsulfamoyl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NCc2cc(C)on2)ccc1C
InChIInChI=1S/C17H23N3O4S/c1-5-20(6-2)25(22,23)16-10-14(8-7-12(16)3)17(21)18-11-15-9-13(4)24-19-15/h7-10H,5-6,11H2,1-4H3,(H,18,21)
InChIKeyMSYBLNSIWCYURH-UHFFFAOYSA-N
XLogP2.25
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(diethylsulfamoyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47728458
3-bromo-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 79466321
3-(diethylsulfamoyl)-4-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119433491
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(diethylsulfamoyl)-4-methylbenzamide
CID 55976375
3-(diethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-4-methylbenzamide
CID 26241292
3-(diethylsulfamoyl)-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 36695261
N,N-diethyl-2-methyl-5-[[(4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 2648443
3-(diethylsulfamoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylbenzamide
CID 27231281
N-[[3-(diethylaminomethyl)phenyl]methyl]-3-(diethylsulfamoyl)-4-methylbenzamide
CID 55769177
3,4-diethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47900987
3-(diethylsulfamoyl)-4-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55980552
3-(diethylsulfamoyl)-N-(3-ethoxypropyl)-4-methylbenzamide
CID 27680531

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide (CID 47728860) is 3-(diethylsulfamoyl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2cc(C)on2)ccc1C.
What is the InChIKey of 3-(diethylsulfamoyl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide?
The InChIKey is MSYBLNSIWCYURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-5-20(6-2)25(22,23)16-10-14(8-7-12(16)3)17(21)18-11-15-9-13(4)24-19-15/h7-10H,5-6,11H2,1-4H3,(H,18,21).
What are the key properties of 3-(diethylsulfamoyl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide?
3-(diethylsulfamoyl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide has a molecular weight of 365.46 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide is sourced from PubChem (CID 47728860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).