5-amino-2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide

C19H25N3O3S — CID 120626378

IUPAC5-amino-2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
SMILESCc1ccc(N)cc1C(=O)NCc1ccccc1CS(=O)(=O)NC(C)C
InChIInChI=1S/C19H25N3O3S/c1-13(2)22-26(24,25)12-16-7-5-4-6-15(16)11-21-19(23)18-10-17(20)9-8-14(18)3/h4-10,13,22H,11-12,20H2,1-3H3,(H,21,23)
InChIKeyLQRPOHIPIMGKCM-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.34
Rot. Bonds7

About 5-amino-2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide

5-amino-2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide (PubChem CID 120626378) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 5-amino-2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
PubChem CID120626378
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name5-amino-2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
SMILESCc1ccc(N)cc1C(=O)NCc1ccccc1CS(=O)(=O)NC(C)C
InChIInChI=1S/C19H25N3O3S/c1-13(2)22-26(24,25)12-16-7-5-4-6-15(16)11-21-19(23)18-10-17(20)9-8-14(18)3/h4-10,13,22H,11-12,20H2,1-3H3,(H,21,23)
InChIKeyLQRPOHIPIMGKCM-UHFFFAOYSA-N
XLogP2.34
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.34
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-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 31945509
2-methylsulfanyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 18121288
2,6-difluoro-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 51279145
5-amino-N-[[2-(methoxymethyl)phenyl]methyl]-2-methylbenzamide
CID 61292490
2-methoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 18121295
(2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 119307075
2-oxo-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]chromene-3-carboxamide
CID 18121330
(2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide;hydrochloride
CID 119307074
2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
CID 119307081
2,6-dichloro-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 112803909
2-phenoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 18121319
5-amino-2-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]benzamide;hydrochloride
CID 120624405

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 5-amino-2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide (CID 120626378) is 5-amino-2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 5-amino-2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 5-amino-2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide is Cc1ccc(N)cc1C(=O)NCc1ccccc1CS(=O)(=O)NC(C)C.
What is the InChIKey of 5-amino-2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide?
The InChIKey is LQRPOHIPIMGKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-13(2)22-26(24,25)12-16-7-5-4-6-15(16)11-21-19(23)18-10-17(20)9-8-14(18)3/h4-10,13,22H,11-12,20H2,1-3H3,(H,21,23).
What are the key properties of 5-amino-2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide?
5-amino-2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide has a molecular weight of 375.49 g/mol, XLogP of 2.34, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 120626378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).