N-[1-(2,5-dimethoxyphenyl)ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide

C20H27N3O5S — CID 133210747

IUPACN-[1-(2,5-dimethoxyphenyl)ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)c1
InChIInChI=1S/C20H27N3O5S/c1-14(18-13-17(27-5)11-12-19(18)28-6)21-20(24)15-7-9-16(10-8-15)23(4)29(25,26)22(2)3/h7-14H,1-6H3,(H,21,24)
InChIKeyRNXPUWHZRSIGDF-UHFFFAOYSA-N
MW421.52 g/mol
LogP2.44
Rot. Bonds8

About N-[1-(2,5-dimethoxyphenyl)ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide

N-[1-(2,5-dimethoxyphenyl)ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide (PubChem CID 133210747) has the molecular formula C20H27N3O5S and a molecular weight of 421.52 g/mol. Its IUPAC name is N-[1-(2,5-dimethoxyphenyl)ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethoxyphenyl)ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide
PubChem CID133210747
Molecular FormulaC20H27N3O5S
Molecular Weight421.52 g/mol
Exact Mass421.17
IUPAC NameN-[1-(2,5-dimethoxyphenyl)ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)c1
InChIInChI=1S/C20H27N3O5S/c1-14(18-13-17(27-5)11-12-19(18)28-6)21-20(24)15-7-9-16(10-8-15)23(4)29(25,26)22(2)3/h7-14H,1-6H3,(H,21,24)
InChIKeyRNXPUWHZRSIGDF-UHFFFAOYSA-N
XLogP2.44
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 125052999
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-sulfamoylbenzamide
CID 55408572
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluorobenzamide
CID 880770
4-(difluoromethylsulfonyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide
CID 9194269
N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 125052451
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3,4-dimethylbenzamide
CID 9477021
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide
CID 133160272
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 100744996
3-[benzenesulfonyl(methyl)amino]-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide
CID 100610475
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluoro-4-methoxybenzamide
CID 22107778
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 100712170
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9477031

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide?
The IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide (CID 133210747) is N-[1-(2,5-dimethoxyphenyl)ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide.
What is the SMILES notation for N-[1-(2,5-dimethoxyphenyl)ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide?
The canonical SMILES for N-[1-(2,5-dimethoxyphenyl)ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide is COc1ccc(OC)c(C(C)NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)c1.
What is the InChIKey of N-[1-(2,5-dimethoxyphenyl)ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide?
The InChIKey is RNXPUWHZRSIGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5S/c1-14(18-13-17(27-5)11-12-19(18)28-6)21-20(24)15-7-9-16(10-8-15)23(4)29(25,26)22(2)3/h7-14H,1-6H3,(H,21,24).
What are the key properties of N-[1-(2,5-dimethoxyphenyl)ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide?
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide has a molecular weight of 421.52 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethoxyphenyl)ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide is sourced from PubChem (CID 133210747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).