N-(4-acetylphenyl)-2-[methyl-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]acetamide

C21H22N4O5S — CID 53093293

IUPACN-(4-acetylphenyl)-2-[methyl-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]acetamide
SMILESCC(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(-c3noc(C)n3)ccc2C)cc1
InChIInChI=1S/C21H22N4O5S/c1-13-5-6-17(21-22-15(3)30-24-21)11-19(13)31(28,29)25(4)12-20(27)23-18-9-7-16(8-10-18)14(2)26/h5-11H,12H2,1-4H3,(H,23,27)
InChIKeyMYPVOVJAPKOTBN-UHFFFAOYSA-N
MW442.50 g/mol
LogP2.82
Rot. Bonds7

About N-(4-acetylphenyl)-2-[methyl-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]acetamide

N-(4-acetylphenyl)-2-[methyl-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]acetamide (PubChem CID 53093293) has the molecular formula C21H22N4O5S and a molecular weight of 442.50 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[methyl-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[methyl-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]acetamide
PubChem CID53093293
Molecular FormulaC21H22N4O5S
Molecular Weight442.50 g/mol
Exact Mass442.13
IUPAC NameN-(4-acetylphenyl)-2-[methyl-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]acetamide
SMILESCC(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(-c3noc(C)n3)ccc2C)cc1
InChIInChI=1S/C21H22N4O5S/c1-13-5-6-17(21-22-15(3)30-24-21)11-19(13)31(28,29)25(4)12-20(27)23-18-9-7-16(8-10-18)14(2)26/h5-11H,12H2,1-4H3,(H,23,27)
InChIKeyMYPVOVJAPKOTBN-UHFFFAOYSA-N
XLogP2.82
TPSA122.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-acetamidophenyl)-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 100781076
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-tert-butylphenyl)acetamide
CID 7919004
N-(4-acetylphenyl)-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 60547348
N-[3-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]-4-methylphenyl]propanamide
CID 55725015
2-cyano-N-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide
CID 168523907
2-[(5-chloro-2-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide
CID 46418498
N-(3,5-dimethylphenyl)-2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
CID 46365724
2-[(2,5-dimethylphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 100781042
2-[(5-acetamido-2-methylphenyl)sulfonyl-methylamino]acetic acid
CID 60651397
4-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide
CID 30601398
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 43046652
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 2695434

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[methyl-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[methyl-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]acetamide (CID 53093293) is N-(4-acetylphenyl)-2-[methyl-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[methyl-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[methyl-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]acetamide is CC(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(-c3noc(C)n3)ccc2C)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[methyl-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]acetamide?
The InChIKey is MYPVOVJAPKOTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O5S/c1-13-5-6-17(21-22-15(3)30-24-21)11-19(13)31(28,29)25(4)12-20(27)23-18-9-7-16(8-10-18)14(2)26/h5-11H,12H2,1-4H3,(H,23,27).
What are the key properties of N-(4-acetylphenyl)-2-[methyl-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]acetamide?
N-(4-acetylphenyl)-2-[methyl-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]acetamide has a molecular weight of 442.50 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[methyl-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]acetamide is sourced from PubChem (CID 53093293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).