3-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide

C20H25N3O4S — CID 32627137

IUPAC3-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)c1
InChIInChI=1S/C20H25N3O4S/c1-20(2,3)22-28(26,27)17-11-9-14(10-12-17)18(24)21-16-8-6-7-15(13-16)19(25)23(4)5/h6-13,22H,1-5H3,(H,21,24)
InChIKeyOIWHTPOARXKCEE-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.72
Rot. Bonds5

About 3-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide

3-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide (PubChem CID 32627137) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 3-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide
PubChem CID32627137
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name3-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)c1
InChIInChI=1S/C20H25N3O4S/c1-20(2,3)22-28(26,27)17-11-9-14(10-12-17)18(24)21-16-8-6-7-15(13-16)19(25)23(4)5/h6-13,22H,1-5H3,(H,21,24)
InChIKeyOIWHTPOARXKCEE-UHFFFAOYSA-N
XLogP2.72
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(cyclopropylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide
CID 30379406
N,N-dimethyl-3-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide
CID 30379157
4-(tert-butylsulfamoyl)-N-(3-nitrophenyl)benzamide
CID 34682520
3-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]-N,N-dimethylbenzamide
CID 30379129
3-[(4-acetamidobenzoyl)amino]-N,N-dimethylbenzamide
CID 134037398
4-bromo-N-[3-(tert-butylsulfamoyl)phenyl]benzamide
CID 25445720
3-[[4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzoyl]amino]-N,N-dimethylbenzamide
CID 46520009
N,N-dimethyl-3-[(4-phenylbenzoyl)amino]benzamide
CID 17231735
N,N-dimethyl-3-[[4-(methylsulfonylmethyl)benzoyl]amino]benzamide
CID 32626914
S-[4-[[4-(tert-butylsulfamoyl)benzoyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56533146
2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N-(3-methylphenyl)benzamide
CID 55499981
N-[4-(tert-butylsulfamoyl)phenyl]-3-iodobenzamide
CID 1213253

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide (CID 32627137) is 3-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)c1.
What is the InChIKey of 3-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide?
The InChIKey is OIWHTPOARXKCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-20(2,3)22-28(26,27)17-11-9-14(10-12-17)18(24)21-16-8-6-7-15(13-16)19(25)23(4)5/h6-13,22H,1-5H3,(H,21,24).
What are the key properties of 3-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide?
3-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide has a molecular weight of 403.50 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 32627137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).