3-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]benzamide

C18H23N3O3S — CID 119798978

IUPAC3-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]benzamide
SMILESCc1ccc(NC(=O)c2cccc(N)c2)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C18H23N3O3S/c1-12-8-9-15(11-16(12)25(23,24)21-18(2,3)4)20-17(22)13-6-5-7-14(19)10-13/h5-11,21H,19H2,1-4H3,(H,20,22)
InChIKeyUSTCECHPYLDCOQ-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.91
Rot. Bonds4

About 3-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]benzamide

3-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]benzamide (PubChem CID 119798978) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 3-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]benzamide
PubChem CID119798978
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name3-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]benzamide
SMILESCc1ccc(NC(=O)c2cccc(N)c2)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C18H23N3O3S/c1-12-8-9-15(11-16(12)25(23,24)21-18(2,3)4)20-17(22)13-6-5-7-14(19)10-13/h5-11,21H,19H2,1-4H3,(H,20,22)
InChIKeyUSTCECHPYLDCOQ-UHFFFAOYSA-N
XLogP2.91
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.91
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

(2S)-2-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3,3-dimethylbutanamide
CID 119798970
3-amino-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 43710565
N-(4-acetamido-3-methylphenyl)-3-aminobenzamide
CID 43698803
3-amino-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]benzamide
CID 119751225
N-[4-(tert-butylsulfamoyl)phenyl]-3-iodobenzamide
CID 1213253
3-acetamido-N-[4-methyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 25359012
(2S)-2-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3-phenylpropanamide
CID 119332400
3-(tert-butylsulfamoyl)-N-(3-fluoro-4-methylphenyl)-4-methoxybenzamide
CID 34227801
N-(4-methyl-3-sulfamoylphenyl)-3-propoxybenzamide
CID 87002439
3-N-tert-butyl-1-N-(3,4-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109055998
1-N,3-N-bis[3-[(3-aminobenzoyl)amino]-4-methylphenyl]-4-hydroxybenzene-1,3-dicarboxamide
CID 139753100
5-amino-N-[3-(tert-butylsulfamoyl)-2-methylphenyl]-2-methylbenzamide
CID 120635238

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]benzamide?
The IUPAC name of 3-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]benzamide (CID 119798978) is 3-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]benzamide.
What is the SMILES notation for 3-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]benzamide?
The canonical SMILES for 3-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]benzamide is Cc1ccc(NC(=O)c2cccc(N)c2)cc1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of 3-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]benzamide?
The InChIKey is USTCECHPYLDCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-12-8-9-15(11-16(12)25(23,24)21-18(2,3)4)20-17(22)13-6-5-7-14(19)10-13/h5-11,21H,19H2,1-4H3,(H,20,22).
What are the key properties of 3-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]benzamide?
3-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]benzamide has a molecular weight of 361.47 g/mol, XLogP of 2.91, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]benzamide is sourced from PubChem (CID 119798978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).