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

C16H21N3O4S — CID 47864349

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
SMILESCc1noc(C)c1CNC(=O)c1cccc(S(=O)(=O)NC(C)C)c1
InChIInChI=1S/C16H21N3O4S/c1-10(2)19-24(21,22)14-7-5-6-13(8-14)16(20)17-9-15-11(3)18-23-12(15)4/h5-8,10,19H,9H2,1-4H3,(H,17,20)
InChIKeyKICAFEJUQZWZJC-UHFFFAOYSA-N
MW351.43 g/mol
LogP1.91
Rot. Bonds6

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

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(propan-2-ylsulfamoyl)benzamide (PubChem CID 47864349) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
PubChem CID47864349
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
SMILESCc1noc(C)c1CNC(=O)c1cccc(S(=O)(=O)NC(C)C)c1
InChIInChI=1S/C16H21N3O4S/c1-10(2)19-24(21,22)14-7-5-6-13(8-14)16(20)17-9-15-11(3)18-23-12(15)4/h5-8,10,19H,9H2,1-4H3,(H,17,20)
InChIKeyKICAFEJUQZWZJC-UHFFFAOYSA-N
XLogP1.91
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylbenzamide
CID 47861733
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxybenzamide
CID 79241601
N-[(4-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 26796224
N-[(2-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 4790456
5-[[[3-(propan-2-ylsulfamoyl)benzoyl]amino]methyl]furan-2-carboxylic acid
CID 119245913
N-(2-methoxyethyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26500829
3-(propan-2-ylsulfamoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 26887138
N-(3-aminopropyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119408016
N-(1-adamantylmethyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26866749
N-[(2,5-dimethoxyphenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 33107845
N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 46699305
N-[(2R)-2-(ethylamino)propyl]-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 120655144

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(propan-2-ylsulfamoyl)benzamide (CID 47864349) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(propan-2-ylsulfamoyl)benzamide is Cc1noc(C)c1CNC(=O)c1cccc(S(=O)(=O)NC(C)C)c1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is KICAFEJUQZWZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S/c1-10(2)19-24(21,22)14-7-5-6-13(8-14)16(20)17-9-15-11(3)18-23-12(15)4/h5-8,10,19H,9H2,1-4H3,(H,17,20).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(propan-2-ylsulfamoyl)benzamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 351.43 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 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]-3-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 47864349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).