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

C19H19N3O5S — CID 53094837

IUPACN-[4-[[2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide
SMILESCOc1cc(-c2cc(C)no2)ccc1S(=O)(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C19H19N3O5S/c1-12-10-17(27-21-12)14-4-9-19(18(11-14)26-3)28(24,25)22-16-7-5-15(6-8-16)20-13(2)23/h4-11,22H,1-3H3,(H,20,23)
InChIKeyUYDONKMIDJHYTR-UHFFFAOYSA-N
MW401.44 g/mol
LogP3.42
Rot. Bonds6

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

N-[4-[[2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide (PubChem CID 53094837) has the molecular formula C19H19N3O5S and a molecular weight of 401.44 g/mol. Its IUPAC name is N-[4-[[2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide
PubChem CID53094837
Molecular FormulaC19H19N3O5S
Molecular Weight401.44 g/mol
Exact Mass401.10
IUPAC NameN-[4-[[2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide
SMILESCOc1cc(-c2cc(C)no2)ccc1S(=O)(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C19H19N3O5S/c1-12-10-17(27-21-12)14-4-9-19(18(11-14)26-3)28(24,25)22-16-7-5-15(6-8-16)20-13(2)23/h4-11,22H,1-3H3,(H,20,23)
InChIKeyUYDONKMIDJHYTR-UHFFFAOYSA-N
XLogP3.42
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylphenyl]sulfonylamino]phenyl]acetamide
CID 46335667
N-(4-methoxyphenyl)-2-methyl-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 53094959
2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 53094757
2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 20935095
N-[4-[(2,4-dimethoxyphenyl)sulfonylamino]phenyl]acetamide
CID 22774828
N-(3-chloro-2-methylphenyl)-2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 53094799
N-(4-bromo-2-fluorophenyl)-2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 53094791
2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)-N-(2-phenylpropyl)benzenesulfonamide
CID 53094821
N-(2-methoxyphenyl)-2-methyl-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 53095046
N-[[4-(dimethylamino)phenyl]methyl]-2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 53094849
2-ethyl-N-(4-ethylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20936343
2,4-dimethoxy-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110643635

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide?
The IUPAC name of N-[4-[[2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide (CID 53094837) is N-[4-[[2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[[2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide is COc1cc(-c2cc(C)no2)ccc1S(=O)(=O)Nc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[[2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide?
The InChIKey is UYDONKMIDJHYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5S/c1-12-10-17(27-21-12)14-4-9-19(18(11-14)26-3)28(24,25)22-16-7-5-15(6-8-16)20-13(2)23/h4-11,22H,1-3H3,(H,20,23).
What are the key properties of N-[4-[[2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide?
N-[4-[[2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide has a molecular weight of 401.44 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 53094837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).