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

C18H25N3O4S — CID 55641872

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCc1noc(C)c1CN(C)C(=O)c1ccc(S(=O)(=O)N(C)C(C)C)cc1
InChIInChI=1S/C18H25N3O4S/c1-12(2)21(6)26(23,24)16-9-7-15(8-10-16)18(22)20(5)11-17-13(3)19-25-14(17)4/h7-10,12H,11H2,1-6H3
InChIKeyNBLZQUMMWNRWOP-UHFFFAOYSA-N
MW379.48 g/mol
LogP2.59
Rot. Bonds6

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

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-[methyl(propan-2-yl)sulfamoyl]benzamide (PubChem CID 55641872) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-[methyl(propan-2-yl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-[methyl(propan-2-yl)sulfamoyl]benzamide
PubChem CID55641872
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCc1noc(C)c1CN(C)C(=O)c1ccc(S(=O)(=O)N(C)C(C)C)cc1
InChIInChI=1S/C18H25N3O4S/c1-12(2)21(6)26(23,24)16-9-7-15(8-10-16)18(22)20(5)11-17-13(3)19-25-14(17)4/h7-10,12H,11H2,1-6H3
InChIKeyNBLZQUMMWNRWOP-UHFFFAOYSA-N
XLogP2.59
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-ethylphenyl)methyl]-N-methyl-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 38045291
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-(6-propan-2-ylpyridazin-3-yl)benzamide
CID 122568132
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-[(4-ethoxyphenyl)sulfonylamino]-N-methylbenzamide
CID 55621572
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide
CID 55621573
3,5-dibromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide
CID 103907755
2-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-5-sulfamoylbenzamide
CID 55653157
6-(diethylamino)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyridine-3-carboxamide
CID 48675917
2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide
CID 60959336
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylacetamide
CID 55621554
3-[benzyl(methyl)sulfamoyl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxy-N-methylbenzamide
CID 55652909
(2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide
CID 55938250
methyl 4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]phenyl]-1-methylpyrazole-3-carboxylate
CID 122570443

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-[methyl(propan-2-yl)sulfamoyl]benzamide (CID 55641872) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-[methyl(propan-2-yl)sulfamoyl]benzamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-[methyl(propan-2-yl)sulfamoyl]benzamide is Cc1noc(C)c1CN(C)C(=O)c1ccc(S(=O)(=O)N(C)C(C)C)cc1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
The InChIKey is NBLZQUMMWNRWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S/c1-12(2)21(6)26(23,24)16-9-7-15(8-10-16)18(22)20(5)11-17-13(3)19-25-14(17)4/h7-10,12H,11H2,1-6H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-[methyl(propan-2-yl)sulfamoyl]benzamide has a molecular weight of 379.48 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-[methyl(propan-2-yl)sulfamoyl]benzamide is sourced from PubChem (CID 55641872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).