4-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N,N-diethylbenzamide

C22H29N3O4S — CID 34317793

IUPAC4-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1
InChIInChI=1S/C22H29N3O4S/c1-6-25(7-2)21(27)17-8-12-18(13-9-17)23-20(26)16-10-14-19(15-11-16)30(28,29)24-22(3,4)5/h8-15,24H,6-7H2,1-5H3,(H,23,26)
InChIKeyHKPYKRBPIGLGSG-UHFFFAOYSA-N
MW431.56 g/mol
LogP3.50
Rot. Bonds7

About 4-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N,N-diethylbenzamide

4-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N,N-diethylbenzamide (PubChem CID 34317793) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is 4-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N,N-diethylbenzamide
PubChem CID34317793
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC Name4-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1
InChIInChI=1S/C22H29N3O4S/c1-6-25(7-2)21(27)17-8-12-18(13-9-17)23-20(26)16-10-14-19(15-11-16)30(28,29)24-22(3,4)5/h8-15,24H,6-7H2,1-5H3,(H,23,26)
InChIKeyHKPYKRBPIGLGSG-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

1-N-(4-acetamidophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048426
N,N-diethyl-4-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide
CID 34542806
S-[4-[[4-(tert-butylsulfamoyl)benzoyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56533146
N,N-diethyl-4-[[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide
CID 26899681
N-[4-(tert-butylsulfamoyl)phenyl]-4-pentoxybenzamide
CID 4935093
[4-[[4-(tert-butylsulfamoyl)phenyl]carbamoyl]phenyl] acetate
CID 1311332
methyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate
CID 109048429
ethyl (E)-3-[4-[[4-(tert-butylsulfamoyl)benzoyl]amino]phenyl]prop-2-enoate
CID 35893668
3-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide
CID 32627137
4-(tert-butylsulfamoyl)-N-(2,6-diethylphenyl)benzamide
CID 51310078
N-tert-butyl-4-[[4-(ethylsulfamoyl)benzoyl]amino]benzamide
CID 46584652
4-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]amino]-N,N-diethylbenzamide
CID 40512293

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N,N-diethylbenzamide?
The IUPAC name of 4-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N,N-diethylbenzamide (CID 34317793) is 4-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N,N-diethylbenzamide?
The canonical SMILES for 4-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1.
What is the InChIKey of 4-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N,N-diethylbenzamide?
The InChIKey is HKPYKRBPIGLGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-6-25(7-2)21(27)17-8-12-18(13-9-17)23-20(26)16-10-14-19(15-11-16)30(28,29)24-22(3,4)5/h8-15,24H,6-7H2,1-5H3,(H,23,26).
What are the key properties of 4-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N,N-diethylbenzamide?
4-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N,N-diethylbenzamide 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 4-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N,N-diethylbenzamide is sourced from PubChem (CID 34317793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).