3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-pentylbenzamide

C16H21N3O4S — CID 39157474

IUPAC3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-pentylbenzamide
SMILESCCCCCNC(=O)c1cccc(S(=O)(=O)Nc2cc(C)on2)c1
InChIInChI=1S/C16H21N3O4S/c1-3-4-5-9-17-16(20)13-7-6-8-14(11-13)24(21,22)19-15-10-12(2)23-18-15/h6-8,10-11H,3-5,9H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyJFKDWPVRKHWVKQ-UHFFFAOYSA-N
MW351.43 g/mol
LogP2.70
Rot. Bonds8

About 3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-pentylbenzamide

3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-pentylbenzamide (PubChem CID 39157474) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is 3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-pentylbenzamide.

Molecular Properties

Compound Name3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-pentylbenzamide
PubChem CID39157474
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC Name3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-pentylbenzamide
SMILESCCCCCNC(=O)c1cccc(S(=O)(=O)Nc2cc(C)on2)c1
InChIInChI=1S/C16H21N3O4S/c1-3-4-5-9-17-16(20)13-7-6-8-14(11-13)24(21,22)19-15-10-12(2)23-18-15/h6-8,10-11H,3-5,9H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyJFKDWPVRKHWVKQ-UHFFFAOYSA-N
XLogP2.70
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(2,6-dimethylphenyl)sulfamoyl]-N-pentylbenzamide
CID 109065412
1-N-butyl-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
CID 109051241
3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 109063959
3-(ethylsulfamoyl)-N-hexylbenzamide
CID 46538065
3-[(3-acetylphenyl)sulfamoyl]-N-pentylbenzamide
CID 109065428
3-[(4-fluorophenyl)sulfamoyl]-N-pentylbenzamide
CID 7964289
4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-pentylbenzene-1,4-dicarboxamide
CID 109048796
N-butyl-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide
CID 109062590
N-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide
CID 27229043
N-butyl-3-[(5-chloro-2-methylphenyl)sulfamoyl]benzamide
CID 109062606
3-[(3,4-dichlorophenyl)sulfonylamino]-N-pentylbenzamide
CID 7908049
N-butyl-3-[(2-chlorophenyl)sulfamoyl]benzamide
CID 18106251

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-pentylbenzamide?
The IUPAC name of 3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-pentylbenzamide (CID 39157474) is 3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-pentylbenzamide.
What is the SMILES notation for 3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-pentylbenzamide?
The canonical SMILES for 3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-pentylbenzamide is CCCCCNC(=O)c1cccc(S(=O)(=O)Nc2cc(C)on2)c1.
What is the InChIKey of 3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-pentylbenzamide?
The InChIKey is JFKDWPVRKHWVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S/c1-3-4-5-9-17-16(20)13-7-6-8-14(11-13)24(21,22)19-15-10-12(2)23-18-15/h6-8,10-11H,3-5,9H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-pentylbenzamide?
3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-pentylbenzamide has a molecular weight of 351.43 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-pentylbenzamide is sourced from PubChem (CID 39157474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).