3-(dimethylsulfamoyl)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzamide

C22H23N3O4S — CID 2504240

IUPAC3-(dimethylsulfamoyl)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzamide
SMILESCN(CC(=O)Nc1cccc2ccccc12)C(=O)c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C22H23N3O4S/c1-24(2)30(28,29)18-11-6-10-17(14-18)22(27)25(3)15-21(26)23-20-13-7-9-16-8-4-5-12-19(16)20/h4-14H,15H2,1-3H3,(H,23,26)
InChIKeyHSJDMXQBYDTITQ-UHFFFAOYSA-N
MW425.51 g/mol
LogP2.80
Rot. Bonds6

About 3-(dimethylsulfamoyl)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzamide

3-(dimethylsulfamoyl)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzamide (PubChem CID 2504240) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzamide
PubChem CID2504240
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC Name3-(dimethylsulfamoyl)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzamide
SMILESCN(CC(=O)Nc1cccc2ccccc12)C(=O)c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C22H23N3O4S/c1-24(2)30(28,29)18-11-6-10-17(14-18)22(27)25(3)15-21(26)23-20-13-7-9-16-8-4-5-12-19(16)20/h4-14H,15H2,1-3H3,(H,23,26)
InChIKeyHSJDMXQBYDTITQ-UHFFFAOYSA-N
XLogP2.80
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(dimethylsulfamoyl)anilino]-N-naphthalen-1-ylacetamide
CID 9084353
N-[2-(dimethylamino)-2-oxoethyl]-3-(dimethylsulfamoyl)-N-methylbenzamide
CID 9226973
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 26560772
N-(2-anilino-2-oxoethyl)-N-methyl-3-(methylsulfamoyl)benzamide
CID 46415026
3-(diethylsulfamoyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 27793329
N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]furan-2-carboxamide
CID 26897595
N-[2-(2-chloroanilino)-2-oxoethyl]-3-[(3-chlorophenyl)sulfamoyl]-N-methylbenzamide
CID 26560928
2-[6-(dimethylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-naphthalen-1-ylacetamide
CID 19260057
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide
CID 1329391
3-[methoxy(methyl)sulfamoyl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 9374642
2-[(4-ethylphenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide
CID 18191893
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide
CID 40624086

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzamide (CID 2504240) is 3-(dimethylsulfamoyl)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzamide is CN(CC(=O)Nc1cccc2ccccc12)C(=O)c1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzamide?
The InChIKey is HSJDMXQBYDTITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-24(2)30(28,29)18-11-6-10-17(14-18)22(27)25(3)15-21(26)23-20-13-7-9-16-8-4-5-12-19(16)20/h4-14H,15H2,1-3H3,(H,23,26).
What are the key properties of 3-(dimethylsulfamoyl)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzamide?
3-(dimethylsulfamoyl)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzamide has a molecular weight of 425.51 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 2504240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).