3-amino-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]benzamide

C18H23N3O3S — CID 119751225

IUPAC3-amino-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]benzamide
SMILESCC(C)(C)NS(=O)(=O)c1ccccc1CNC(=O)c1cccc(N)c1
InChIInChI=1S/C18H23N3O3S/c1-18(2,3)21-25(23,24)16-10-5-4-7-14(16)12-20-17(22)13-8-6-9-15(19)11-13/h4-11,21H,12,19H2,1-3H3,(H,20,22)
InChIKeyJVFCAGGDBMTBJS-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.28
Rot. Bonds5

About 3-amino-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]benzamide

3-amino-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]benzamide (PubChem CID 119751225) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 3-amino-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]benzamide
PubChem CID119751225
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name3-amino-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]benzamide
SMILESCC(C)(C)NS(=O)(=O)c1ccccc1CNC(=O)c1cccc(N)c1
InChIInChI=1S/C18H23N3O3S/c1-18(2,3)21-25(23,24)16-10-5-4-7-14(16)12-20-17(22)13-8-6-9-15(19)11-13/h4-11,21H,12,19H2,1-3H3,(H,20,22)
InChIKeyJVFCAGGDBMTBJS-UHFFFAOYSA-N
XLogP2.28
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.28
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

2-(3-bromophenyl)-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]acetamide
CID 60616288
3-amino-N-[[2-(dimethylamino)phenyl]methyl]benzamide
CID 110474429
3-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]benzamide
CID 119798978
N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119751222
N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(3,5-dimethylphenoxy)propanamide
CID 48583873
4-[[[2-(tert-butylsulfamoyl)phenyl]methylamino]methyl]benzoic acid
CID 122030739
4-(tert-butylsulfamoyl)-N-[(2-fluorophenyl)methyl]benzamide
CID 33247250
3-amino-N-(2,2-dimethyl-3-phenylpropyl)benzamide
CID 119794357
1-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111228356
N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-4-(methylamino)butanamide;hydrochloride
CID 119751202
3-[(3-aminobenzoyl)amino]-2,2-dimethylpropanoic acid
CID 115427957
3-amino-N-(2,2-dimethylbutyl)benzamide
CID 103459945

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]benzamide?
The IUPAC name of 3-amino-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]benzamide (CID 119751225) is 3-amino-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-amino-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]benzamide?
The canonical SMILES for 3-amino-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]benzamide is CC(C)(C)NS(=O)(=O)c1ccccc1CNC(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]benzamide?
The InChIKey is JVFCAGGDBMTBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-18(2,3)21-25(23,24)16-10-5-4-7-14(16)12-20-17(22)13-8-6-9-15(19)11-13/h4-11,21H,12,19H2,1-3H3,(H,20,22).
What are the key properties of 3-amino-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]benzamide?
3-amino-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]benzamide has a molecular weight of 361.47 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]benzamide is sourced from PubChem (CID 119751225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).