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

C19H24N2O3S2 — CID 18121288

IUPAC2-methylsulfanyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
SMILESCSc1ccccc1C(=O)NCc1ccccc1CS(=O)(=O)NC(C)C
InChIInChI=1S/C19H24N2O3S2/c1-14(2)21-26(23,24)13-16-9-5-4-8-15(16)12-20-19(22)17-10-6-7-11-18(17)25-3/h4-11,14,21H,12-13H2,1-3H3,(H,20,22)
InChIKeyIFKATURZUXXSPN-UHFFFAOYSA-N
MW392.55 g/mol
LogP3.17
Rot. Bonds8

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

2-methylsulfanyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide (PubChem CID 18121288) has the molecular formula C19H24N2O3S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
PubChem CID18121288
Molecular FormulaC19H24N2O3S2
Molecular Weight392.55 g/mol
Exact Mass392.12
IUPAC Name2-methylsulfanyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
SMILESCSc1ccccc1C(=O)NCc1ccccc1CS(=O)(=O)NC(C)C
InChIInChI=1S/C19H24N2O3S2/c1-14(2)21-26(23,24)13-16-9-5-4-8-15(16)12-20-19(22)17-10-6-7-11-18(17)25-3/h4-11,14,21H,12-13H2,1-3H3,(H,20,22)
InChIKeyIFKATURZUXXSPN-UHFFFAOYSA-N
XLogP3.17
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-difluoro-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 51279145
2-methoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 18121295
2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 31945509
(2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 119307075
2-phenoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 18121319
(2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide;hydrochloride
CID 119307074
2,6-dichloro-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 112803909
5-amino-2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 120626378
2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
CID 119307081
2-oxo-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]chromene-3-carboxamide
CID 18121330
1-methyl-2-oxo-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-4-carboxamide
CID 55574430
1-phenyl-3-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea
CID 17405433

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 2-methylsulfanyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide (CID 18121288) is 2-methylsulfanyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-methylsulfanyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 2-methylsulfanyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide is CSc1ccccc1C(=O)NCc1ccccc1CS(=O)(=O)NC(C)C.
What is the InChIKey of 2-methylsulfanyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide?
The InChIKey is IFKATURZUXXSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S2/c1-14(2)21-26(23,24)13-16-9-5-4-8-15(16)12-20-19(22)17-10-6-7-11-18(17)25-3/h4-11,14,21H,12-13H2,1-3H3,(H,20,22).
What are the key properties of 2-methylsulfanyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide?
2-methylsulfanyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide has a molecular weight of 392.55 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 18121288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).