[4-(butanoylamino)phenyl]sulfonyl-(5-methyl-1,2-oxazol-3-yl)azanide

C14H16N3O4S- — CID 4108465

IUPAC[4-(butanoylamino)phenyl]sulfonyl-(5-methyl-1,2-oxazol-3-yl)azanide
SMILESCCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)on2)cc1
InChIInChI=1S/C14H17N3O4S/c1-3-4-14(18)15-11-5-7-12(8-6-11)22(19,20)17-13-9-10(2)21-16-13/h5-9H,3-4H2,1-2H3,(H2,15,16,17,18)/p-1
InChIKeyNSSZHSOZCMVLGS-UHFFFAOYSA-M
MW322.37 g/mol
LogP3.12
Rot. Bonds6

About [4-(butanoylamino)phenyl]sulfonyl-(5-methyl-1,2-oxazol-3-yl)azanide

[4-(butanoylamino)phenyl]sulfonyl-(5-methyl-1,2-oxazol-3-yl)azanide (PubChem CID 4108465) has the molecular formula C14H16N3O4S- and a molecular weight of 322.37 g/mol. Its IUPAC name is [4-(butanoylamino)phenyl]sulfonyl-(5-methyl-1,2-oxazol-3-yl)azanide.

Molecular Properties

Compound Name[4-(butanoylamino)phenyl]sulfonyl-(5-methyl-1,2-oxazol-3-yl)azanide
PubChem CID4108465
Molecular FormulaC14H16N3O4S-
Molecular Weight322.37 g/mol
Exact Mass322.09
IUPAC Name[4-(butanoylamino)phenyl]sulfonyl-(5-methyl-1,2-oxazol-3-yl)azanide
SMILESCCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)on2)cc1
InChIInChI=1S/C14H17N3O4S/c1-3-4-14(18)15-11-5-7-12(8-6-11)22(19,20)17-13-9-10(2)21-16-13/h5-9H,3-4H2,1-2H3,(H2,15,16,17,18)/p-1
InChIKeyNSSZHSOZCMVLGS-UHFFFAOYSA-M
XLogP3.12
TPSA103.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-methyl-1,2-oxazol-3-yl)-[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]sulfonylazanide
CID 5160416
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide
CID 697515
silver (4-aminophenyl)sulfonyl-(5-methyl-1,2-oxazol-3-yl)azanide
CID 4164477
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]decanamide
CID 19578382
N-(4-cyclopentylsulfonylphenyl)butanamide
CID 110778666
[4-(3-cyclohexylpropanoylamino)phenyl]sulfonyl-(3,4-dimethyl-1,2-oxazol-5-yl)azanide
CID 2059807
N-[4-(butanoylamino)phenyl]butanamide;ethane
CID 166169399
N-[4-(ethylsulfamoyl)phenyl]butanamide
CID 2992581
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide
CID 4581682
N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 832695
N-(4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide
CID 645214
3-cyclohexylsulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide
CID 25049673

Frequently Asked Questions

What is the IUPAC name of [4-(butanoylamino)phenyl]sulfonyl-(5-methyl-1,2-oxazol-3-yl)azanide?
The IUPAC name of [4-(butanoylamino)phenyl]sulfonyl-(5-methyl-1,2-oxazol-3-yl)azanide (CID 4108465) is [4-(butanoylamino)phenyl]sulfonyl-(5-methyl-1,2-oxazol-3-yl)azanide.
What is the SMILES notation for [4-(butanoylamino)phenyl]sulfonyl-(5-methyl-1,2-oxazol-3-yl)azanide?
The canonical SMILES for [4-(butanoylamino)phenyl]sulfonyl-(5-methyl-1,2-oxazol-3-yl)azanide is CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)on2)cc1.
What is the InChIKey of [4-(butanoylamino)phenyl]sulfonyl-(5-methyl-1,2-oxazol-3-yl)azanide?
The InChIKey is NSSZHSOZCMVLGS-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H17N3O4S/c1-3-4-14(18)15-11-5-7-12(8-6-11)22(19,20)17-13-9-10(2)21-16-13/h5-9H,3-4H2,1-2H3,(H2,15,16,17,18)/p-1.
What are the key properties of [4-(butanoylamino)phenyl]sulfonyl-(5-methyl-1,2-oxazol-3-yl)azanide?
[4-(butanoylamino)phenyl]sulfonyl-(5-methyl-1,2-oxazol-3-yl)azanide has a molecular weight of 322.37 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(butanoylamino)phenyl]sulfonyl-(5-methyl-1,2-oxazol-3-yl)azanide is sourced from PubChem (CID 4108465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).