4-[[(4-tert-butylbenzoyl)amino]carbamoyl]-N-methoxy-N-methylbenzenesulfonamide

C20H25N3O5S — CID 9327451

IUPAC4-[[(4-tert-butylbenzoyl)amino]carbamoyl]-N-methoxy-N-methylbenzenesulfonamide
SMILESCON(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C20H25N3O5S/c1-20(2,3)16-10-6-14(7-11-16)18(24)21-22-19(25)15-8-12-17(13-9-15)29(26,27)23(4)28-5/h6-13H,1-5H3,(H,21,24)(H,22,25)
InChIKeyDPEJLEDKXYBRQV-UHFFFAOYSA-N
MW419.50 g/mol
LogP2.24
Rot. Bonds5

About 4-[[(4-tert-butylbenzoyl)amino]carbamoyl]-N-methoxy-N-methylbenzenesulfonamide

4-[[(4-tert-butylbenzoyl)amino]carbamoyl]-N-methoxy-N-methylbenzenesulfonamide (PubChem CID 9327451) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is 4-[[(4-tert-butylbenzoyl)amino]carbamoyl]-N-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[[(4-tert-butylbenzoyl)amino]carbamoyl]-N-methoxy-N-methylbenzenesulfonamide
PubChem CID9327451
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC Name4-[[(4-tert-butylbenzoyl)amino]carbamoyl]-N-methoxy-N-methylbenzenesulfonamide
SMILESCON(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C20H25N3O5S/c1-20(2,3)16-10-6-14(7-11-16)18(24)21-22-19(25)15-8-12-17(13-9-15)29(26,27)23(4)28-5/h6-13H,1-5H3,(H,21,24)(H,22,25)
InChIKeyDPEJLEDKXYBRQV-UHFFFAOYSA-N
XLogP2.24
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butyl-3-[[4-[methoxy(methyl)sulfamoyl]benzoyl]amino]thiourea
CID 9425920
N-methoxy-N-methyl-4-[[(2-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 9224243
methyl 4-[methoxy(methyl)sulfamoyl]benzoate
CID 35459995
4-[methoxy(methyl)sulfamoyl]benzamide
CID 47116565
N-cyclooctyl-4-[methoxy(methyl)sulfamoyl]benzamide
CID 17490358
4-[methoxy(methyl)sulfamoyl]-N-(4-methylpiperazin-1-yl)benzamide
CID 9205648
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide
CID 55894651
4-[methoxy(methyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29370312
4-(benzamidocarbamoyl)-N,N-dimethylbenzenesulfonamide
CID 3304166
N-[2-(difluoromethylsulfonyl)phenyl]-4-[methoxy(methyl)sulfamoyl]benzamide
CID 55406097
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide
CID 9426583
N-[1-(ethylamino)-1-oxopropan-2-yl]-4-[methoxy(methyl)sulfamoyl]benzamide
CID 51217976

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-tert-butylbenzoyl)amino]carbamoyl]-N-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of 4-[[(4-tert-butylbenzoyl)amino]carbamoyl]-N-methoxy-N-methylbenzenesulfonamide (CID 9327451) is 4-[[(4-tert-butylbenzoyl)amino]carbamoyl]-N-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[[(4-tert-butylbenzoyl)amino]carbamoyl]-N-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[[(4-tert-butylbenzoyl)amino]carbamoyl]-N-methoxy-N-methylbenzenesulfonamide is CON(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 4-[[(4-tert-butylbenzoyl)amino]carbamoyl]-N-methoxy-N-methylbenzenesulfonamide?
The InChIKey is DPEJLEDKXYBRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-20(2,3)16-10-6-14(7-11-16)18(24)21-22-19(25)15-8-12-17(13-9-15)29(26,27)23(4)28-5/h6-13H,1-5H3,(H,21,24)(H,22,25).
What are the key properties of 4-[[(4-tert-butylbenzoyl)amino]carbamoyl]-N-methoxy-N-methylbenzenesulfonamide?
4-[[(4-tert-butylbenzoyl)amino]carbamoyl]-N-methoxy-N-methylbenzenesulfonamide has a molecular weight of 419.50 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-tert-butylbenzoyl)amino]carbamoyl]-N-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 9327451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).