N-[4-(diethylsulfamoyl)phenyl]-2-methoxy-4-methylsulfanylbenzamide

C19H24N2O4S2 — CID 2162628

IUPACN-[4-(diethylsulfamoyl)phenyl]-2-methoxy-4-methylsulfanylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(SC)cc2OC)cc1
InChIInChI=1S/C19H24N2O4S2/c1-5-21(6-2)27(23,24)16-10-7-14(8-11-16)20-19(22)17-12-9-15(26-4)13-18(17)25-3/h7-13H,5-6H2,1-4H3,(H,20,22)
InChIKeyVGYCVGISDAEIRR-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.70
Rot. Bonds8

About N-[4-(diethylsulfamoyl)phenyl]-2-methoxy-4-methylsulfanylbenzamide

N-[4-(diethylsulfamoyl)phenyl]-2-methoxy-4-methylsulfanylbenzamide (PubChem CID 2162628) has the molecular formula C19H24N2O4S2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-2-methoxy-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[4-(diethylsulfamoyl)phenyl]-2-methoxy-4-methylsulfanylbenzamide
PubChem CID2162628
Molecular FormulaC19H24N2O4S2
Molecular Weight408.55 g/mol
Exact Mass408.12
IUPAC NameN-[4-(diethylsulfamoyl)phenyl]-2-methoxy-4-methylsulfanylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(SC)cc2OC)cc1
InChIInChI=1S/C19H24N2O4S2/c1-5-21(6-2)27(23,24)16-10-7-14(8-11-16)20-19(22)17-12-9-15(26-4)13-18(17)25-3/h7-13H,5-6H2,1-4H3,(H,20,22)
InChIKeyVGYCVGISDAEIRR-UHFFFAOYSA-N
XLogP3.70
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(diethylsulfamoyl)-N-[4-(dimethylsulfamoyl)phenyl]-2-methoxybenzamide
CID 19257781
N-[4-(diethylsulfamoyl)phenyl]-2-methoxy-5-nitrobenzamide
CID 9203751
N-(4-butylphenyl)-2-methoxy-4-methylsulfanylbenzamide
CID 3515829
5-(diethylsulfamoyl)-2-methoxy-N-phenylbenzamide
CID 19257737
5-(diethylsulfamoyl)-N-(3-fluoro-4-methoxyphenyl)-2-methoxybenzamide
CID 55796499
N-(3,4-dimethylphenyl)-2-methoxy-4-methylsulfanylbenzamide
CID 842703
N-[4-(diethylsulfamoyl)phenyl]-2-(3,4-dimethoxyphenyl)sulfanylpropanamide
CID 43875866
2-methoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-methylsulfanylbenzamide
CID 1078880
N-[4-(diethylsulfamoyl)phenyl]-4-methoxy-3-methylbenzamide
CID 100701493
3-chloro-N-[4-(diethylsulfamoyl)phenyl]-4-methoxybenzamide
CID 100560021
3-bromo-N-[4-(diethylsulfamoyl)phenyl]-4-methoxybenzamide
CID 1011816
2-chloro-N-[4-(diethylsulfamoyl)phenyl]-4-fluorobenzamide
CID 9415986

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2-methoxy-4-methylsulfanylbenzamide?
The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2-methoxy-4-methylsulfanylbenzamide (CID 2162628) is N-[4-(diethylsulfamoyl)phenyl]-2-methoxy-4-methylsulfanylbenzamide.
What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-2-methoxy-4-methylsulfanylbenzamide?
The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-2-methoxy-4-methylsulfanylbenzamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(SC)cc2OC)cc1.
What is the InChIKey of N-[4-(diethylsulfamoyl)phenyl]-2-methoxy-4-methylsulfanylbenzamide?
The InChIKey is VGYCVGISDAEIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S2/c1-5-21(6-2)27(23,24)16-10-7-14(8-11-16)20-19(22)17-12-9-15(26-4)13-18(17)25-3/h7-13H,5-6H2,1-4H3,(H,20,22).
What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-2-methoxy-4-methylsulfanylbenzamide?
N-[4-(diethylsulfamoyl)phenyl]-2-methoxy-4-methylsulfanylbenzamide has a molecular weight of 408.55 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylsulfamoyl)phenyl]-2-methoxy-4-methylsulfanylbenzamide is sourced from PubChem (CID 2162628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).