5-(tert-butylsulfamoyl)-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-methylbenzamide

C23H30ClN3O4S — CID 55673324

IUPAC5-(tert-butylsulfamoyl)-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-methylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2C)cc1Cl
InChIInChI=1S/C23H30ClN3O4S/c1-7-27(8-2)22(29)18-12-10-16(13-20(18)24)25-21(28)19-14-17(11-9-15(19)3)32(30,31)26-23(4,5)6/h9-14,26H,7-8H2,1-6H3,(H,25,28)
InChIKeyNFUHBNBMVOQWQI-UHFFFAOYSA-N
MW480.03 g/mol
LogP4.46
Rot. Bonds7

About 5-(tert-butylsulfamoyl)-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-methylbenzamide

5-(tert-butylsulfamoyl)-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-methylbenzamide (PubChem CID 55673324) has the molecular formula C23H30ClN3O4S and a molecular weight of 480.03 g/mol. Its IUPAC name is 5-(tert-butylsulfamoyl)-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-(tert-butylsulfamoyl)-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-methylbenzamide
PubChem CID55673324
Molecular FormulaC23H30ClN3O4S
Molecular Weight480.03 g/mol
Exact Mass479.16
IUPAC Name5-(tert-butylsulfamoyl)-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-methylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2C)cc1Cl
InChIInChI=1S/C23H30ClN3O4S/c1-7-27(8-2)22(29)18-12-10-16(13-20(18)24)25-21(28)19-14-17(11-9-15(19)3)32(30,31)26-23(4,5)6/h9-14,26H,7-8H2,1-6H3,(H,25,28)
InChIKeyNFUHBNBMVOQWQI-UHFFFAOYSA-N
XLogP4.46
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.03
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-methylbenzamide;hydrochloride
CID 120620961
5-(tert-butylsulfamoyl)-N-(4-cyanophenyl)-2-methylbenzamide
CID 26289902
5-(tert-butylsulfamoyl)-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 26850641
4-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N,N-diethylbenzamide
CID 34317793
5-(benzylsulfamoyl)-N-[4-(diethylcarbamoyl)phenyl]-2-methylbenzamide
CID 34543324
5-(tert-butylsulfamoyl)-2-methyl-N-(2,4,6-trimethylphenyl)benzamide
CID 26085916
N-(3-chloro-4-methylphenyl)-2-methyl-5-methylsulfonylbenzamide
CID 26087165
5-(tert-butylsulfamoyl)-N-[2-(dimethylamino)-2-oxoethyl]-2-methylbenzamide
CID 31336695
5-(cyclopropylsulfamoyl)-N-[4-(diethylcarbamoyl)phenyl]-2-methylbenzamide
CID 24585975
N-(3-chloro-4-methylphenyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 46674398
5-(tert-butylsulfamoyl)-N-(2-ethyl-6-methylphenyl)-2-methylbenzamide
CID 26086643
5-(tert-butylsulfamoyl)-2-methyl-N-(3-methylbutyl)benzamide
CID 35515135

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylsulfamoyl)-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-methylbenzamide?
The IUPAC name of 5-(tert-butylsulfamoyl)-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-methylbenzamide (CID 55673324) is 5-(tert-butylsulfamoyl)-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-methylbenzamide.
What is the SMILES notation for 5-(tert-butylsulfamoyl)-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-methylbenzamide?
The canonical SMILES for 5-(tert-butylsulfamoyl)-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-methylbenzamide is CCN(CC)C(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2C)cc1Cl.
What is the InChIKey of 5-(tert-butylsulfamoyl)-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-methylbenzamide?
The InChIKey is NFUHBNBMVOQWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O4S/c1-7-27(8-2)22(29)18-12-10-16(13-20(18)24)25-21(28)19-14-17(11-9-15(19)3)32(30,31)26-23(4,5)6/h9-14,26H,7-8H2,1-6H3,(H,25,28).
What are the key properties of 5-(tert-butylsulfamoyl)-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-methylbenzamide?
5-(tert-butylsulfamoyl)-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-methylbenzamide has a molecular weight of 480.03 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylsulfamoyl)-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-methylbenzamide is sourced from PubChem (CID 55673324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).