N-benzyl-3-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]carbamoyl]benzenesulfonamide

C20H20N4O5S — CID 26247665

IUPACN-benzyl-3-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]carbamoyl]benzenesulfonamide
SMILESCc1noc(C)c1C(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C20H20N4O5S/c1-13-18(14(2)29-24-13)20(26)23-22-19(25)16-9-6-10-17(11-16)30(27,28)21-12-15-7-4-3-5-8-15/h3-11,21H,12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyOQRFDSUKERXNQC-UHFFFAOYSA-N
MW428.47 g/mol
LogP1.84
Rot. Bonds6

About N-benzyl-3-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]carbamoyl]benzenesulfonamide

N-benzyl-3-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]carbamoyl]benzenesulfonamide (PubChem CID 26247665) has the molecular formula C20H20N4O5S and a molecular weight of 428.47 g/mol. Its IUPAC name is N-benzyl-3-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]carbamoyl]benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-3-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]carbamoyl]benzenesulfonamide
PubChem CID26247665
Molecular FormulaC20H20N4O5S
Molecular Weight428.47 g/mol
Exact Mass428.12
IUPAC NameN-benzyl-3-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]carbamoyl]benzenesulfonamide
SMILESCc1noc(C)c1C(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C20H20N4O5S/c1-13-18(14(2)29-24-13)20(26)23-22-19(25)16-9-6-10-17(11-16)30(27,28)21-12-15-7-4-3-5-8-15/h3-11,21H,12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyOQRFDSUKERXNQC-UHFFFAOYSA-N
XLogP1.84
TPSA130.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-3-[[(3-methoxy-4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 26587155
N-benzyl-3-(hydrazinecarbonyl)benzenesulfonamide
CID 2442245
N-[3-[2-[3-(benzylsulfamoyl)benzoyl]hydrazinyl]-3-oxopropyl]furan-2-carboxamide
CID 26826496
3-(benzylsulfamoyl)-N-(4-methyl-2-pyridinyl)benzamide
CID 18106959
N-benzyl-3-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 24502761
N-benzyl-3-[[(2,3-dimethyl-1H-indole-5-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 26826505
methyl 5-[[[3-(benzylsulfamoyl)benzoyl]amino]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 27690183
3-(benzylsulfamoyl)-N-cyclopropylbenzamide
CID 9165600
N-benzyl-3-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzenesulfonamide
CID 27690215
N-benzyl-3-[[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]carbamoyl]benzenesulfonamide
CID 26826500
3-(benzylsulfamoyl)-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 9404478
N-benzyl-3-[[(4-fluoro-1-benzothiophene-2-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 43016972

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]carbamoyl]benzenesulfonamide?
The IUPAC name of N-benzyl-3-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]carbamoyl]benzenesulfonamide (CID 26247665) is N-benzyl-3-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]carbamoyl]benzenesulfonamide.
What is the SMILES notation for N-benzyl-3-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]carbamoyl]benzenesulfonamide?
The canonical SMILES for N-benzyl-3-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]carbamoyl]benzenesulfonamide is Cc1noc(C)c1C(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-3-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]carbamoyl]benzenesulfonamide?
The InChIKey is OQRFDSUKERXNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O5S/c1-13-18(14(2)29-24-13)20(26)23-22-19(25)16-9-6-10-17(11-16)30(27,28)21-12-15-7-4-3-5-8-15/h3-11,21H,12H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-benzyl-3-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]carbamoyl]benzenesulfonamide?
N-benzyl-3-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]carbamoyl]benzenesulfonamide has a molecular weight of 428.47 g/mol, XLogP of 1.84, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]carbamoyl]benzenesulfonamide is sourced from PubChem (CID 26247665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).