N-tert-butyl-4-[[4-(ethylsulfamoyl)benzoyl]amino]benzamide

C20H25N3O4S — CID 46584652

IUPACN-tert-butyl-4-[[4-(ethylsulfamoyl)benzoyl]amino]benzamide
SMILESCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)cc1
InChIInChI=1S/C20H25N3O4S/c1-5-21-28(26,27)17-12-8-14(9-13-17)18(24)22-16-10-6-15(7-11-16)19(25)23-20(2,3)4/h6-13,21H,5H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyNTZDKHOPIGSPEV-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.77
Rot. Bonds6

About N-tert-butyl-4-[[4-(ethylsulfamoyl)benzoyl]amino]benzamide

N-tert-butyl-4-[[4-(ethylsulfamoyl)benzoyl]amino]benzamide (PubChem CID 46584652) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is N-tert-butyl-4-[[4-(ethylsulfamoyl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-[[4-(ethylsulfamoyl)benzoyl]amino]benzamide
PubChem CID46584652
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC NameN-tert-butyl-4-[[4-(ethylsulfamoyl)benzoyl]amino]benzamide
SMILESCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)cc1
InChIInChI=1S/C20H25N3O4S/c1-5-21-28(26,27)17-12-8-14(9-13-17)18(24)22-16-10-6-15(7-11-16)19(25)23-20(2,3)4/h6-13,21H,5H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyNTZDKHOPIGSPEV-UHFFFAOYSA-N
XLogP2.77
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(ethylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 9411634
4-[[4-(ethylsulfamoyl)benzoyl]amino]benzamide
CID 9441790
4-(ethylsulfamoyl)-N-phenylbenzamide
CID 1262046
4-(ethylsulfamoyl)-N-[4-(methylcarbamoylamino)phenyl]benzamide
CID 46518600
N-[4-(ethylsulfamoyl)phenyl]-4-phenylbenzamide
CID 1249984
4-(ethylsulfamoyl)-N-(4-methylsulfanylphenyl)benzamide
CID 9179911
4-(ethylsulfamoyl)-N-(4-methoxyphenyl)benzamide
CID 9411925
N-tert-butyl-4-[[4-(diethylsulfamoyl)benzoyl]amino]benzamide
CID 38253660
N-[4-(ethylsulfamoyl)phenyl]-4-(pentanoylamino)benzamide
CID 2229397
N-(3,4-dimethylphenyl)-4-(ethylsulfamoyl)benzamide
CID 9416096
N-[4-(ethylsulfamoyl)phenyl]-4-[(2-phenylacetyl)amino]benzamide
CID 17119617
N-[4-(difluoromethoxy)phenyl]-4-(ethylsulfamoyl)benzamide
CID 9405047

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[[4-(ethylsulfamoyl)benzoyl]amino]benzamide?
The IUPAC name of N-tert-butyl-4-[[4-(ethylsulfamoyl)benzoyl]amino]benzamide (CID 46584652) is N-tert-butyl-4-[[4-(ethylsulfamoyl)benzoyl]amino]benzamide.
What is the SMILES notation for N-tert-butyl-4-[[4-(ethylsulfamoyl)benzoyl]amino]benzamide?
The canonical SMILES for N-tert-butyl-4-[[4-(ethylsulfamoyl)benzoyl]amino]benzamide is CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)cc1.
What is the InChIKey of N-tert-butyl-4-[[4-(ethylsulfamoyl)benzoyl]amino]benzamide?
The InChIKey is NTZDKHOPIGSPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-5-21-28(26,27)17-12-8-14(9-13-17)18(24)22-16-10-6-15(7-11-16)19(25)23-20(2,3)4/h6-13,21H,5H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N-tert-butyl-4-[[4-(ethylsulfamoyl)benzoyl]amino]benzamide?
N-tert-butyl-4-[[4-(ethylsulfamoyl)benzoyl]amino]benzamide has a molecular weight of 403.50 g/mol, XLogP of 2.77, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[[4-(ethylsulfamoyl)benzoyl]amino]benzamide is sourced from PubChem (CID 46584652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).