N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-(methylsulfanylmethyl)benzamide

C18H22N2O3S2 — CID 30723480

IUPACN-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-(methylsulfanylmethyl)benzamide
SMILESCSCc1ccc(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1
InChIInChI=1S/C18H22N2O3S2/c1-13-5-10-16(25(22,23)20(2)3)11-17(13)19-18(21)15-8-6-14(7-9-15)12-24-4/h5-11H,12H2,1-4H3,(H,19,21)
InChIKeyGFDWCBNGTMRMEA-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.36
Rot. Bonds6

About N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-(methylsulfanylmethyl)benzamide

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-(methylsulfanylmethyl)benzamide (PubChem CID 30723480) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-(methylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-(methylsulfanylmethyl)benzamide
PubChem CID30723480
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-(methylsulfanylmethyl)benzamide
SMILESCSCc1ccc(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1
InChIInChI=1S/C18H22N2O3S2/c1-13-5-10-16(25(22,23)20(2)3)11-17(13)19-18(21)15-8-6-14(7-9-15)12-24-4/h5-11H,12H2,1-4H3,(H,19,21)
InChIKeyGFDWCBNGTMRMEA-UHFFFAOYSA-N
XLogP3.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-phenylbenzamide
CID 26774002
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-(trifluoromethoxy)benzamide
CID 3488603
2-[[5-(dimethylsulfamoyl)-2-methylphenyl]carbamoyl]benzoic acid
CID 2813889
4-(dimethylsulfamoyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4852363
N-(5-acetyl-2-methylphenyl)-2-chloro-5-(dimethylsulfamoyl)benzamide
CID 110618400
4-cyano-N-[5-(diethylsulfamoyl)-2-methylphenyl]benzamide
CID 4810842
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-phenylacetamide
CID 7689071
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 26773919
4-(aminomethyl)-N-[5-(dimethylsulfamoyl)-2-ethoxyphenyl]benzamide
CID 119331638
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methylsulfanylpyridine-3-carboxamide
CID 3985764
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 99122318
3-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2,2-dimethylpropanamide
CID 63678439

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-(methylsulfanylmethyl)benzamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-(methylsulfanylmethyl)benzamide (CID 30723480) is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-(methylsulfanylmethyl)benzamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-(methylsulfanylmethyl)benzamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-(methylsulfanylmethyl)benzamide is CSCc1ccc(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-(methylsulfanylmethyl)benzamide?
The InChIKey is GFDWCBNGTMRMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c1-13-5-10-16(25(22,23)20(2)3)11-17(13)19-18(21)15-8-6-14(7-9-15)12-24-4/h5-11H,12H2,1-4H3,(H,19,21).
What are the key properties of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-(methylsulfanylmethyl)benzamide?
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-(methylsulfanylmethyl)benzamide has a molecular weight of 378.52 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-(methylsulfanylmethyl)benzamide is sourced from PubChem (CID 30723480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).