4-[benzenesulfonyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)-3-phenylbutanamide

C21H23N3O4S — CID 3950427

IUPAC4-[benzenesulfonyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)-3-phenylbutanamide
SMILESCc1cc(NC(=O)CC(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)no1
InChIInChI=1S/C21H23N3O4S/c1-16-13-20(23-28-16)22-21(25)14-18(17-9-5-3-6-10-17)15-24(2)29(26,27)19-11-7-4-8-12-19/h3-13,18H,14-15H2,1-2H3,(H,22,23,25)
InChIKeyUQJOWWRFGXPRSO-UHFFFAOYSA-N
MW413.50 g/mol
LogP3.42
Rot. Bonds8

About 4-[benzenesulfonyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)-3-phenylbutanamide

4-[benzenesulfonyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)-3-phenylbutanamide (PubChem CID 3950427) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is 4-[benzenesulfonyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)-3-phenylbutanamide.

Molecular Properties

Compound Name4-[benzenesulfonyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)-3-phenylbutanamide
PubChem CID3950427
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC Name4-[benzenesulfonyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)-3-phenylbutanamide
SMILESCc1cc(NC(=O)CC(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)no1
InChIInChI=1S/C21H23N3O4S/c1-16-13-20(23-28-16)22-21(25)14-18(17-9-5-3-6-10-17)15-24(2)29(26,27)19-11-7-4-8-12-19/h3-13,18H,14-15H2,1-2H3,(H,22,23,25)
InChIKeyUQJOWWRFGXPRSO-UHFFFAOYSA-N
XLogP3.42
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)-3-phenylbutanamide?
The IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)-3-phenylbutanamide (CID 3950427) is 4-[benzenesulfonyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)-3-phenylbutanamide.
What is the SMILES notation for 4-[benzenesulfonyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)-3-phenylbutanamide?
The canonical SMILES for 4-[benzenesulfonyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)-3-phenylbutanamide is Cc1cc(NC(=O)CC(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)no1.
What is the InChIKey of 4-[benzenesulfonyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)-3-phenylbutanamide?
The InChIKey is UQJOWWRFGXPRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-16-13-20(23-28-16)22-21(25)14-18(17-9-5-3-6-10-17)15-24(2)29(26,27)19-11-7-4-8-12-19/h3-13,18H,14-15H2,1-2H3,(H,22,23,25).
What are the key properties of 4-[benzenesulfonyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)-3-phenylbutanamide?
4-[benzenesulfonyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)-3-phenylbutanamide has a molecular weight of 413.50 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzenesulfonyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)-3-phenylbutanamide is sourced from PubChem (CID 3950427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).