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

C21H23N3O4S — CID 46335667

IUPACN-[4-[[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylphenyl]sulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NS(=O)(=O)c2cc(-c3cc(C)no3)ccc2C(C)C)cc1
InChIInChI=1S/C21H23N3O4S/c1-13(2)19-10-5-16(20-11-14(3)23-28-20)12-21(19)29(26,27)24-18-8-6-17(7-9-18)22-15(4)25/h5-13,24H,1-4H3,(H,22,25)
InChIKeyATODORSBCIAMTO-UHFFFAOYSA-N
MW413.50 g/mol
LogP4.53
Rot. Bonds6

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

N-[4-[[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylphenyl]sulfonylamino]phenyl]acetamide (PubChem CID 46335667) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-[4-[[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylphenyl]sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylphenyl]sulfonylamino]phenyl]acetamide
PubChem CID46335667
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC NameN-[4-[[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylphenyl]sulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NS(=O)(=O)c2cc(-c3cc(C)no3)ccc2C(C)C)cc1
InChIInChI=1S/C21H23N3O4S/c1-13(2)19-10-5-16(20-11-14(3)23-28-20)12-21(19)29(26,27)24-18-8-6-17(7-9-18)22-15(4)25/h5-13,24H,1-4H3,(H,22,25)
InChIKeyATODORSBCIAMTO-UHFFFAOYSA-N
XLogP4.53
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylphenyl]sulfonylamino]phenyl]acetamide with MolForge

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Related Compounds

N-(4-cyanophenyl)-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide
CID 46335665
N-[4-[[2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide
CID 53094837
5-(3-methyl-1,2-oxazol-5-yl)-N-(2-methylphenyl)-2-propan-2-ylbenzenesulfonamide
CID 20936493
5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide
CID 20936526
2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 20935095
N-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide
CID 20936500
N-(5-chloro-2-pyridinyl)-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide
CID 20936462
2-ethyl-N-(4-ethylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20936343
5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-yl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 20936463
N-(4-methoxyphenyl)-2-methyl-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 53094959
N-(3-acetylphenyl)-2-ethyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20936379
2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-propan-2-ylbenzenesulfonamide
CID 20934958

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylphenyl]sulfonylamino]phenyl]acetamide?
The IUPAC name of N-[4-[[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylphenyl]sulfonylamino]phenyl]acetamide (CID 46335667) is N-[4-[[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylphenyl]sulfonylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylphenyl]sulfonylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylphenyl]sulfonylamino]phenyl]acetamide is CC(=O)Nc1ccc(NS(=O)(=O)c2cc(-c3cc(C)no3)ccc2C(C)C)cc1.
What is the InChIKey of N-[4-[[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylphenyl]sulfonylamino]phenyl]acetamide?
The InChIKey is ATODORSBCIAMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-13(2)19-10-5-16(20-11-14(3)23-28-20)12-21(19)29(26,27)24-18-8-6-17(7-9-18)22-15(4)25/h5-13,24H,1-4H3,(H,22,25).
What are the key properties of N-[4-[[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylphenyl]sulfonylamino]phenyl]acetamide?
N-[4-[[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylphenyl]sulfonylamino]phenyl]acetamide has a molecular weight of 413.50 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylphenyl]sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 46335667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).