4-methoxy-N-(3-methylsulfanylphenyl)-3-(propan-2-ylsulfamoyl)benzamide

C18H22N2O4S2 — CID 45373523

IUPAC4-methoxy-N-(3-methylsulfanylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
SMILESCOc1ccc(C(=O)Nc2cccc(SC)c2)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C18H22N2O4S2/c1-12(2)20-26(22,23)17-10-13(8-9-16(17)24-3)18(21)19-14-6-5-7-15(11-14)25-4/h5-12,20H,1-4H3,(H,19,21)
InChIKeySRHYCRGOAPROAS-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.36
Rot. Bonds7

About 4-methoxy-N-(3-methylsulfanylphenyl)-3-(propan-2-ylsulfamoyl)benzamide

4-methoxy-N-(3-methylsulfanylphenyl)-3-(propan-2-ylsulfamoyl)benzamide (PubChem CID 45373523) has the molecular formula C18H22N2O4S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 4-methoxy-N-(3-methylsulfanylphenyl)-3-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(3-methylsulfanylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
PubChem CID45373523
Molecular FormulaC18H22N2O4S2
Molecular Weight394.52 g/mol
Exact Mass394.10
IUPAC Name4-methoxy-N-(3-methylsulfanylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
SMILESCOc1ccc(C(=O)Nc2cccc(SC)c2)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C18H22N2O4S2/c1-12(2)20-26(22,23)17-10-13(8-9-16(17)24-3)18(21)19-14-6-5-7-15(11-14)25-4/h5-12,20H,1-4H3,(H,19,21)
InChIKeySRHYCRGOAPROAS-UHFFFAOYSA-N
XLogP3.36
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-4-methoxyphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119419366
4-methoxy-N-(4-methylsulfonylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 16594690
2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide
CID 43890648
4-methoxy-N-(2-methylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 40742114
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(3-methylsulfanylphenyl)benzamide
CID 126415688
methyl 2-hydroxy-3-[[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]amino]benzoate
CID 56543378
N-(4-butylphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 45373539
4-methyl-N-(3-methylsulfanylphenyl)-3-(phenylsulfamoyl)benzamide
CID 1252501
N-(9-ethylcarbazol-3-yl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 24538264
N-(4-bromo-2,6-dimethylphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 100795511
3-(tert-butylsulfamoyl)-N-(3-fluorophenyl)-4-methoxybenzamide
CID 26579178
N-(3-bromophenyl)-4-methoxy-3-(methylsulfamoyl)benzamide
CID 40742194

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(3-methylsulfanylphenyl)-3-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of 4-methoxy-N-(3-methylsulfanylphenyl)-3-(propan-2-ylsulfamoyl)benzamide (CID 45373523) is 4-methoxy-N-(3-methylsulfanylphenyl)-3-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for 4-methoxy-N-(3-methylsulfanylphenyl)-3-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for 4-methoxy-N-(3-methylsulfanylphenyl)-3-(propan-2-ylsulfamoyl)benzamide is COc1ccc(C(=O)Nc2cccc(SC)c2)cc1S(=O)(=O)NC(C)C.
What is the InChIKey of 4-methoxy-N-(3-methylsulfanylphenyl)-3-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is SRHYCRGOAPROAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S2/c1-12(2)20-26(22,23)17-10-13(8-9-16(17)24-3)18(21)19-14-6-5-7-15(11-14)25-4/h5-12,20H,1-4H3,(H,19,21).
What are the key properties of 4-methoxy-N-(3-methylsulfanylphenyl)-3-(propan-2-ylsulfamoyl)benzamide?
4-methoxy-N-(3-methylsulfanylphenyl)-3-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 394.52 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(3-methylsulfanylphenyl)-3-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 45373523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).