4-[dimethylsulfamoyl(methyl)amino]-N-[1-(4-ethylphenyl)ethyl]benzamide

C20H27N3O3S — CID 133161416

IUPAC4-[dimethylsulfamoyl(methyl)amino]-N-[1-(4-ethylphenyl)ethyl]benzamide
SMILESCCc1ccc(C(C)NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)cc1
InChIInChI=1S/C20H27N3O3S/c1-6-16-7-9-17(10-8-16)15(2)21-20(24)18-11-13-19(14-12-18)23(5)27(25,26)22(3)4/h7-15H,6H2,1-5H3,(H,21,24)
InChIKeyMHFRMJCTQGCNBJ-UHFFFAOYSA-N
MW389.52 g/mol
LogP2.98
Rot. Bonds7

About 4-[dimethylsulfamoyl(methyl)amino]-N-[1-(4-ethylphenyl)ethyl]benzamide

4-[dimethylsulfamoyl(methyl)amino]-N-[1-(4-ethylphenyl)ethyl]benzamide (PubChem CID 133161416) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is 4-[dimethylsulfamoyl(methyl)amino]-N-[1-(4-ethylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-[dimethylsulfamoyl(methyl)amino]-N-[1-(4-ethylphenyl)ethyl]benzamide
PubChem CID133161416
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name4-[dimethylsulfamoyl(methyl)amino]-N-[1-(4-ethylphenyl)ethyl]benzamide
SMILESCCc1ccc(C(C)NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)cc1
InChIInChI=1S/C20H27N3O3S/c1-6-16-7-9-17(10-8-16)15(2)21-20(24)18-11-13-19(14-12-18)23(5)27(25,26)22(3)4/h7-15H,6H2,1-5H3,(H,21,24)
InChIKeyMHFRMJCTQGCNBJ-UHFFFAOYSA-N
XLogP2.98
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[dimethylsulfamoyl(methyl)amino]-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide
CID 100518140
N-[1-(4-ethylphenyl)ethyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 133166361
4-[dimethylsulfamoyl(methyl)amino]-N-(4-ethylphenyl)benzamide
CID 53283203
4-[ethyl(methylsulfonyl)amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]benzamide
CID 100567468
4-[dimethylsulfamoyl(methyl)amino]-N-pentan-3-ylbenzamide
CID 53283300
N-[(1R)-1-(4-ethylphenyl)ethyl]-4-methylbenzamide
CID 51857347
4-(difluoromethylsulfonylmethyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide
CID 96534711
N-[(1R)-1-(4-ethylphenyl)ethyl]-4-iodobenzamide
CID 95356330
N-[(1R)-1-(4-ethylphenyl)ethyl]-3-[methyl(methylsulfonyl)amino]benzamide
CID 100758583
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide
CID 100544112
N-[1-(4-ethylphenyl)ethyl]-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide
CID 133261991
4-(aminomethyl)-N-[1-(4-ethylphenyl)ethyl]benzamide;hydrochloride
CID 119269307

Frequently Asked Questions

What is the IUPAC name of 4-[dimethylsulfamoyl(methyl)amino]-N-[1-(4-ethylphenyl)ethyl]benzamide?
The IUPAC name of 4-[dimethylsulfamoyl(methyl)amino]-N-[1-(4-ethylphenyl)ethyl]benzamide (CID 133161416) is 4-[dimethylsulfamoyl(methyl)amino]-N-[1-(4-ethylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-[dimethylsulfamoyl(methyl)amino]-N-[1-(4-ethylphenyl)ethyl]benzamide?
The canonical SMILES for 4-[dimethylsulfamoyl(methyl)amino]-N-[1-(4-ethylphenyl)ethyl]benzamide is CCc1ccc(C(C)NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)cc1.
What is the InChIKey of 4-[dimethylsulfamoyl(methyl)amino]-N-[1-(4-ethylphenyl)ethyl]benzamide?
The InChIKey is MHFRMJCTQGCNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-6-16-7-9-17(10-8-16)15(2)21-20(24)18-11-13-19(14-12-18)23(5)27(25,26)22(3)4/h7-15H,6H2,1-5H3,(H,21,24).
What are the key properties of 4-[dimethylsulfamoyl(methyl)amino]-N-[1-(4-ethylphenyl)ethyl]benzamide?
4-[dimethylsulfamoyl(methyl)amino]-N-[1-(4-ethylphenyl)ethyl]benzamide has a molecular weight of 389.52 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dimethylsulfamoyl(methyl)amino]-N-[1-(4-ethylphenyl)ethyl]benzamide is sourced from PubChem (CID 133161416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).