N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-ethoxybenzamide

C18H22N2O4S — CID 3635933

IUPACN-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1
InChIInChI=1S/C18H22N2O4S/c1-5-24-16-10-7-14(8-11-16)18(21)19-15-9-6-13(2)17(12-15)25(22,23)20(3)4/h6-12H,5H2,1-4H3,(H,19,21)
InChIKeyYXSSRKBJHCIDHJ-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.90
Rot. Bonds6

About N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-ethoxybenzamide

N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-ethoxybenzamide (PubChem CID 3635933) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-ethoxybenzamide
PubChem CID3635933
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1
InChIInChI=1S/C18H22N2O4S/c1-5-24-16-10-7-14(8-11-16)18(21)19-15-9-6-13(2)17(12-15)25(22,23)20(3)4/h6-12H,5H2,1-4H3,(H,19,21)
InChIKeyYXSSRKBJHCIDHJ-UHFFFAOYSA-N
XLogP2.90
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(trifluoromethoxy)benzamide
CID 4280881
N-[4-(dimethylsulfamoyl)phenyl]-4-ethoxybenzamide
CID 2672905
N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide
CID 17397410
4-butoxy-N-[3-(diethylsulfamoyl)-4-methylphenyl]benzamide
CID 18205717
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-ethoxypyridine-3-carboxamide
CID 8833006
4-ethoxy-N-(3-fluoro-4-methylphenyl)benzamide
CID 2969739
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(4-methylphenoxy)acetamide
CID 26522302
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 26852105
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3,5-dimethylbenzamide
CID 26421618
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-(trifluoromethyl)benzamide
CID 9470026
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-propan-2-ylbenzamide
CID 9470040
4-[[3-(dimethylsulfamoyl)phenyl]carbamothioylamino]-N-(4-ethoxyphenyl)benzamide
CID 42993002

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-ethoxybenzamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-ethoxybenzamide (CID 3635933) is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-ethoxybenzamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-ethoxybenzamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1.
What is the InChIKey of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-ethoxybenzamide?
The InChIKey is YXSSRKBJHCIDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-5-24-16-10-7-14(8-11-16)18(21)19-15-9-6-13(2)17(12-15)25(22,23)20(3)4/h6-12H,5H2,1-4H3,(H,19,21).
What are the key properties of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-ethoxybenzamide?
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-ethoxybenzamide has a molecular weight of 362.45 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-ethoxybenzamide is sourced from PubChem (CID 3635933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).