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

C22H29N3O4S — CID 38253660

IUPACN-tert-butyl-4-[[4-(diethylsulfamoyl)benzoyl]amino]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)cc1
InChIInChI=1S/C22H29N3O4S/c1-6-25(7-2)30(28,29)19-14-10-16(11-15-19)20(26)23-18-12-8-17(9-13-18)21(27)24-22(3,4)5/h8-15H,6-7H2,1-5H3,(H,23,26)(H,24,27)
InChIKeyRYPCLMMNEGKXHR-UHFFFAOYSA-N
MW431.56 g/mol
LogP3.50
Rot. Bonds7

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

N-tert-butyl-4-[[4-(diethylsulfamoyl)benzoyl]amino]benzamide (PubChem CID 38253660) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is N-tert-butyl-4-[[4-(diethylsulfamoyl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-[[4-(diethylsulfamoyl)benzoyl]amino]benzamide
PubChem CID38253660
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC NameN-tert-butyl-4-[[4-(diethylsulfamoyl)benzoyl]amino]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)cc1
InChIInChI=1S/C22H29N3O4S/c1-6-25(7-2)30(28,29)19-14-10-16(11-15-19)20(26)23-18-12-8-17(9-13-18)21(27)24-22(3,4)5/h8-15H,6-7H2,1-5H3,(H,23,26)(H,24,27)
InChIKeyRYPCLMMNEGKXHR-UHFFFAOYSA-N
XLogP3.50
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481
N-(4-acetamidophenyl)-4-(diethylsulfamoyl)benzamide
CID 7940158
N-[4-(tert-butylcarbamoyl)phenyl]-5-(diethylsulfamoyl)-2-fluorobenzamide
CID 38255118
N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 730591
4-[[4-(diethylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide
CID 8698718
N-tert-butyl-4-[[4-(ethylsulfamoyl)benzoyl]amino]benzamide
CID 46584652
4-(diethylsulfamoyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
CID 38402732
4-N-tert-butyl-1-N-[4-(diethylamino)phenyl]benzene-1,4-dicarboxamide
CID 109048527
N-[4-(diethylsulfamoyl)phenyl]-4-(propan-2-yloxymethyl)benzamide
CID 8615900
N-[4-(diethylsulfamoyl)phenyl]-3,4,5-triethoxybenzamide
CID 3586249
4-(diethylsulfamoyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17308419
4-acetamido-N-[3-(diethylsulfamoyl)phenyl]benzamide
CID 7760016

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[[4-(diethylsulfamoyl)benzoyl]amino]benzamide?
The IUPAC name of N-tert-butyl-4-[[4-(diethylsulfamoyl)benzoyl]amino]benzamide (CID 38253660) is N-tert-butyl-4-[[4-(diethylsulfamoyl)benzoyl]amino]benzamide.
What is the SMILES notation for N-tert-butyl-4-[[4-(diethylsulfamoyl)benzoyl]amino]benzamide?
The canonical SMILES for N-tert-butyl-4-[[4-(diethylsulfamoyl)benzoyl]amino]benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)cc1.
What is the InChIKey of N-tert-butyl-4-[[4-(diethylsulfamoyl)benzoyl]amino]benzamide?
The InChIKey is RYPCLMMNEGKXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-6-25(7-2)30(28,29)19-14-10-16(11-15-19)20(26)23-18-12-8-17(9-13-18)21(27)24-22(3,4)5/h8-15H,6-7H2,1-5H3,(H,23,26)(H,24,27).
What are the key properties of N-tert-butyl-4-[[4-(diethylsulfamoyl)benzoyl]amino]benzamide?
N-tert-butyl-4-[[4-(diethylsulfamoyl)benzoyl]amino]benzamide has a molecular weight of 431.56 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[[4-(diethylsulfamoyl)benzoyl]amino]benzamide is sourced from PubChem (CID 38253660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).