5-amino-N-[3-(tert-butylsulfamoyl)-2-methylphenyl]-2-methylbenzamide

C19H25N3O3S — CID 120635238

IUPAC5-amino-N-[3-(tert-butylsulfamoyl)-2-methylphenyl]-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1C
InChIInChI=1S/C19H25N3O3S/c1-12-9-10-14(20)11-15(12)18(23)21-16-7-6-8-17(13(16)2)26(24,25)22-19(3,4)5/h6-11,22H,20H2,1-5H3,(H,21,23)
InChIKeyHFIQVZFTBHIABE-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.21
Rot. Bonds4

About 5-amino-N-[3-(tert-butylsulfamoyl)-2-methylphenyl]-2-methylbenzamide

5-amino-N-[3-(tert-butylsulfamoyl)-2-methylphenyl]-2-methylbenzamide (PubChem CID 120635238) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 5-amino-N-[3-(tert-butylsulfamoyl)-2-methylphenyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-[3-(tert-butylsulfamoyl)-2-methylphenyl]-2-methylbenzamide
PubChem CID120635238
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name5-amino-N-[3-(tert-butylsulfamoyl)-2-methylphenyl]-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1C
InChIInChI=1S/C19H25N3O3S/c1-12-9-10-14(20)11-15(12)18(23)21-16-7-6-8-17(13(16)2)26(24,25)22-19(3,4)5/h6-11,22H,20H2,1-5H3,(H,21,23)
InChIKeyHFIQVZFTBHIABE-UHFFFAOYSA-N
XLogP3.21
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[3-(tert-butylsulfamoyl)-2-methylphenyl]benzamide
CID 71874763
5-amino-N-[2-(tert-butylcarbamoyl)phenyl]-2-methylbenzamide
CID 120620337
5-methoxy-2-methyl-N-(2-methyl-3-sulfamoylphenyl)benzamide
CID 126612439
5-amino-N-(2-bromo-3-chlorophenyl)-2-methylbenzamide
CID 103477113
3-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]benzamide
CID 119798978
5-(tert-butylsulfamoyl)-N-(2-hydroxy-4-methylphenyl)-2-methylbenzamide
CID 51166421
3-(2-aminophenyl)-N-[3-(tert-butylsulfamoyl)-2-methylphenyl]propanamide
CID 120611166
5-amino-2-methyl-N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]benzamide;hydrochloride
CID 120635670
N-tert-butyl-2-methyl-3-(methylamino)benzenesulfonamide;ethane
CID 90756496
3-(tert-butylsulfamoyl)-N-(2,3-dimethylphenyl)benzamide
CID 8714252
N-(3-chloro-2-methylphenyl)-2-methyl-5-(methylsulfamoyl)benzamide
CID 51297779
5-amino-N-(2,3-dimethylphenyl)-2-methoxybenzamide
CID 61090377

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[3-(tert-butylsulfamoyl)-2-methylphenyl]-2-methylbenzamide?
The IUPAC name of 5-amino-N-[3-(tert-butylsulfamoyl)-2-methylphenyl]-2-methylbenzamide (CID 120635238) is 5-amino-N-[3-(tert-butylsulfamoyl)-2-methylphenyl]-2-methylbenzamide.
What is the SMILES notation for 5-amino-N-[3-(tert-butylsulfamoyl)-2-methylphenyl]-2-methylbenzamide?
The canonical SMILES for 5-amino-N-[3-(tert-butylsulfamoyl)-2-methylphenyl]-2-methylbenzamide is Cc1ccc(N)cc1C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1C.
What is the InChIKey of 5-amino-N-[3-(tert-butylsulfamoyl)-2-methylphenyl]-2-methylbenzamide?
The InChIKey is HFIQVZFTBHIABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-12-9-10-14(20)11-15(12)18(23)21-16-7-6-8-17(13(16)2)26(24,25)22-19(3,4)5/h6-11,22H,20H2,1-5H3,(H,21,23).
What are the key properties of 5-amino-N-[3-(tert-butylsulfamoyl)-2-methylphenyl]-2-methylbenzamide?
5-amino-N-[3-(tert-butylsulfamoyl)-2-methylphenyl]-2-methylbenzamide has a molecular weight of 375.49 g/mol, XLogP of 3.21, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[3-(tert-butylsulfamoyl)-2-methylphenyl]-2-methylbenzamide is sourced from PubChem (CID 120635238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).