N,N-dimethyl-3-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methylsulfamoyl]benzamide

C17H23N3O4S — CID 77089087

IUPACN,N-dimethyl-3-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methylsulfamoyl]benzamide
SMILESCC(C)Cc1cc(CNS(=O)(=O)c2cccc(C(=O)N(C)C)c2)on1
InChIInChI=1S/C17H23N3O4S/c1-12(2)8-14-10-15(24-19-14)11-18-25(22,23)16-7-5-6-13(9-16)17(21)20(3)4/h5-7,9-10,12,18H,8,11H2,1-4H3
InChIKeyDRPNDHNSHJLXQC-UHFFFAOYSA-N
MW365.46 g/mol
LogP2.05
Rot. Bonds7

About N,N-dimethyl-3-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methylsulfamoyl]benzamide

N,N-dimethyl-3-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methylsulfamoyl]benzamide (PubChem CID 77089087) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is N,N-dimethyl-3-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methylsulfamoyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methylsulfamoyl]benzamide
PubChem CID77089087
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC NameN,N-dimethyl-3-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methylsulfamoyl]benzamide
SMILESCC(C)Cc1cc(CNS(=O)(=O)c2cccc(C(=O)N(C)C)c2)on1
InChIInChI=1S/C17H23N3O4S/c1-12(2)8-14-10-15(24-19-14)11-18-25(22,23)16-7-5-6-13(9-16)17(21)20(3)4/h5-7,9-10,12,18H,8,11H2,1-4H3
InChIKeyDRPNDHNSHJLXQC-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)-2-oxoethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]benzamide
CID 77088154
N,N-dimethyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 42910274
N,N-dimethyl-3-(quinolin-4-ylmethylsulfamoyl)benzamide
CID 77081152
3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfamoyl]-N-methyl-N-(2-methylpropyl)benzamide
CID 72923304
N-methyl-N-(4-methylpentan-2-yl)-3-(methylsulfamoyl)benzamide
CID 42951938
N,N-dimethyl-3-[(1-methylbenzimidazol-2-yl)methylsulfamoyl]benzamide
CID 74238376
3-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylsulfamoyl]-N,N-dimethylbenzamide
CID 77089537
N,N-dimethyl-3-[[(2S)-2-pyridin-3-yloxypropyl]sulfamoyl]benzamide
CID 99931121
3-[2-(cycloheptylamino)ethylsulfamoyl]-N,N-dimethylbenzamide
CID 119987203
(2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]acetamide
CID 97186769
3-(furan-2-ylmethylsulfamoyl)-N,N-dipropylbenzamide
CID 109064446
3-[[4-(4-fluorophenyl)-4-oxobutan-2-yl]sulfamoyl]-N,N-dimethylbenzamide
CID 75394970

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methylsulfamoyl]benzamide?
The IUPAC name of N,N-dimethyl-3-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methylsulfamoyl]benzamide (CID 77089087) is N,N-dimethyl-3-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methylsulfamoyl]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methylsulfamoyl]benzamide?
The canonical SMILES for N,N-dimethyl-3-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methylsulfamoyl]benzamide is CC(C)Cc1cc(CNS(=O)(=O)c2cccc(C(=O)N(C)C)c2)on1.
What is the InChIKey of N,N-dimethyl-3-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methylsulfamoyl]benzamide?
The InChIKey is DRPNDHNSHJLXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-12(2)8-14-10-15(24-19-14)11-18-25(22,23)16-7-5-6-13(9-16)17(21)20(3)4/h5-7,9-10,12,18H,8,11H2,1-4H3.
What are the key properties of N,N-dimethyl-3-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methylsulfamoyl]benzamide?
N,N-dimethyl-3-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methylsulfamoyl]benzamide has a molecular weight of 365.46 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methylsulfamoyl]benzamide is sourced from PubChem (CID 77089087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).