3-(benzenesulfonamido)-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C13H15N3O4S — CID 17225907

IUPAC3-(benzenesulfonamido)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCNS(=O)(=O)c2ccccc2)no1
InChIInChI=1S/C13H15N3O4S/c1-10-9-12(16-20-10)15-13(17)7-8-14-21(18,19)11-5-3-2-4-6-11/h2-6,9,14H,7-8H2,1H3,(H,15,16,17)
InChIKeyVPRCDUHHGLSBDN-UHFFFAOYSA-N
MW309.35 g/mol
LogP1.29
Rot. Bonds6

About 3-(benzenesulfonamido)-N-(5-methyl-1,2-oxazol-3-yl)propanamide

3-(benzenesulfonamido)-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 17225907) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID17225907
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Name3-(benzenesulfonamido)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCNS(=O)(=O)c2ccccc2)no1
InChIInChI=1S/C13H15N3O4S/c1-10-9-12(16-20-10)15-13(17)7-8-14-21(18,19)11-5-3-2-4-6-11/h2-6,9,14H,7-8H2,1H3,(H,15,16,17)
InChIKeyVPRCDUHHGLSBDN-UHFFFAOYSA-N
XLogP1.29
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 110370450
N-(5-methyl-1,2-oxazol-3-yl)-3-[(2-methylphenyl)sulfonylamino]propanamide
CID 110370453
N-(5-methyl-1,2-oxazol-3-yl)-3-(2-phenylethylsulfonylamino)propanamide
CID 110370442
3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 110370456
N-(5-methyl-1,2-oxazol-3-yl)-4-(3-phenylpropylsulfamoyl)benzamide
CID 109061114
2-[(4-chlorophenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110370274
2-[(3,4-dimethylphenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110370277
N-(5-methyl-1,2-oxazol-3-yl)-3-[(2-phenoxyacetyl)amino]propanamide
CID 110370363
2-[[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid
CID 43465797
3-(benzenesulfonamido)-N-(4-chloro-2-methylphenyl)propanamide
CID 26687749
3-(benzenesulfonamido)-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 18268034
N-(5-methyl-1,2-oxazol-3-yl)-3-(3-phenoxypropanoylamino)propanamide
CID 110370366

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 3-(benzenesulfonamido)-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 17225907) is 3-(benzenesulfonamido)-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)CCNS(=O)(=O)c2ccccc2)no1.
What is the InChIKey of 3-(benzenesulfonamido)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is VPRCDUHHGLSBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-10-9-12(16-20-10)15-13(17)7-8-14-21(18,19)11-5-3-2-4-6-11/h2-6,9,14H,7-8H2,1H3,(H,15,16,17).
What are the key properties of 3-(benzenesulfonamido)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
3-(benzenesulfonamido)-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 309.35 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 17225907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).