N-[[4-(methylsulfamoyl)phenyl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide

C19H21N3O5S — CID 46454589

IUPACN-[[4-(methylsulfamoyl)phenyl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
SMILESCNS(=O)(=O)c1ccc(CNC(=O)CCCn2c(=O)oc3ccccc32)cc1
InChIInChI=1S/C19H21N3O5S/c1-20-28(25,26)15-10-8-14(9-11-15)13-21-18(23)7-4-12-22-16-5-2-3-6-17(16)27-19(22)24/h2-3,5-6,8-11,20H,4,7,12-13H2,1H3,(H,21,23)
InChIKeyXPQFZTVBVXCWLB-UHFFFAOYSA-N
MW403.46 g/mol
LogP1.60
Rot. Bonds8

About N-[[4-(methylsulfamoyl)phenyl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide

N-[[4-(methylsulfamoyl)phenyl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide (PubChem CID 46454589) has the molecular formula C19H21N3O5S and a molecular weight of 403.46 g/mol. Its IUPAC name is N-[[4-(methylsulfamoyl)phenyl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide.

Molecular Properties

Compound NameN-[[4-(methylsulfamoyl)phenyl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
PubChem CID46454589
Molecular FormulaC19H21N3O5S
Molecular Weight403.46 g/mol
Exact Mass403.12
IUPAC NameN-[[4-(methylsulfamoyl)phenyl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
SMILESCNS(=O)(=O)c1ccc(CNC(=O)CCCn2c(=O)oc3ccccc32)cc1
InChIInChI=1S/C19H21N3O5S/c1-20-28(25,26)15-10-8-14(9-11-15)13-21-18(23)7-4-12-22-16-5-2-3-6-17(16)27-19(22)24/h2-3,5-6,8-11,20H,4,7,12-13H2,1H3,(H,21,23)
InChIKeyXPQFZTVBVXCWLB-UHFFFAOYSA-N
XLogP1.60
TPSA110.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 24514497
4-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide
CID 55729558
N-[[3-(methylsulfamoyl)phenyl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 38972126
4-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide
CID 18132322
N-[(4-cyanophenyl)methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 52571612
N-butyl-4-[[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]methyl]benzamide
CID 86986290
N-[(4-butoxy-3-methoxyphenyl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 39971590
N-[(3-methoxy-4-propoxyphenyl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 46425090
4-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
CID 7974357
N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 55817540
methyl 6-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]hexanoate
CID 9221034
N-(2-benzylsulfanylethyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 18195767

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methylsulfamoyl)phenyl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The IUPAC name of N-[[4-(methylsulfamoyl)phenyl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide (CID 46454589) is N-[[4-(methylsulfamoyl)phenyl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide.
What is the SMILES notation for N-[[4-(methylsulfamoyl)phenyl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The canonical SMILES for N-[[4-(methylsulfamoyl)phenyl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide is CNS(=O)(=O)c1ccc(CNC(=O)CCCn2c(=O)oc3ccccc32)cc1.
What is the InChIKey of N-[[4-(methylsulfamoyl)phenyl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The InChIKey is XPQFZTVBVXCWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5S/c1-20-28(25,26)15-10-8-14(9-11-15)13-21-18(23)7-4-12-22-16-5-2-3-6-17(16)27-19(22)24/h2-3,5-6,8-11,20H,4,7,12-13H2,1H3,(H,21,23).
What are the key properties of N-[[4-(methylsulfamoyl)phenyl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
N-[[4-(methylsulfamoyl)phenyl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide has a molecular weight of 403.46 g/mol, XLogP of 1.60, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methylsulfamoyl)phenyl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide is sourced from PubChem (CID 46454589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).