3-(4-methylphenyl)sulfonyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide

C17H16N2O5S — CID 110616370

IUPAC3-(4-methylphenyl)sulfonyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2ccc3[nH]c(=O)oc3c2)cc1
InChIInChI=1S/C17H16N2O5S/c1-11-2-5-13(6-3-11)25(22,23)9-8-16(20)18-12-4-7-14-15(10-12)24-17(21)19-14/h2-7,10H,8-9H2,1H3,(H,18,20)(H,19,21)
InChIKeyAKLPHGHSIJEGIN-UHFFFAOYSA-N
MW360.39 g/mol
LogP2.23
Rot. Bonds5

About 3-(4-methylphenyl)sulfonyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide

3-(4-methylphenyl)sulfonyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide (PubChem CID 110616370) has the molecular formula C17H16N2O5S and a molecular weight of 360.39 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfonyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfonyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
PubChem CID110616370
Molecular FormulaC17H16N2O5S
Molecular Weight360.39 g/mol
Exact Mass360.08
IUPAC Name3-(4-methylphenyl)sulfonyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2ccc3[nH]c(=O)oc3c2)cc1
InChIInChI=1S/C17H16N2O5S/c1-11-2-5-13(6-3-11)25(22,23)9-8-16(20)18-12-4-7-14-15(10-12)24-17(21)19-14/h2-7,10H,8-9H2,1H3,(H,18,20)(H,19,21)
InChIKeyAKLPHGHSIJEGIN-UHFFFAOYSA-N
XLogP2.23
TPSA109.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
CID 110616374
N-(3-methyl-2-oxo-1H-quinolin-7-yl)-3-(4-methylphenyl)sulfonylpropanamide
CID 110425693
3-chloro-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
CID 11543243
methyl 4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]butanoate
CID 110662078
4-(methylamino)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide
CID 110838149
2-hydroxy-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 83820376
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-sulfanylacetamide
CID 115166967
4-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 110616272
N-(3-fluoro-4-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 9216116
4-(2-methylphenyl)-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide
CID 110608184
3-cyclopropyl-3-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
CID 110411113
N-(4-methylphenyl)-4-(4-methylphenyl)sulfonylbutanamide
CID 12559254

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfonyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide?
The IUPAC name of 3-(4-methylphenyl)sulfonyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide (CID 110616370) is 3-(4-methylphenyl)sulfonyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide.
What is the SMILES notation for 3-(4-methylphenyl)sulfonyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide?
The canonical SMILES for 3-(4-methylphenyl)sulfonyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide is Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc3[nH]c(=O)oc3c2)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfonyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide?
The InChIKey is AKLPHGHSIJEGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5S/c1-11-2-5-13(6-3-11)25(22,23)9-8-16(20)18-12-4-7-14-15(10-12)24-17(21)19-14/h2-7,10H,8-9H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 3-(4-methylphenyl)sulfonyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide?
3-(4-methylphenyl)sulfonyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide has a molecular weight of 360.39 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfonyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide is sourced from PubChem (CID 110616370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).