N-[1-(2,5-dimethoxyphenyl)ethyl]-4-sulfamoylbenzamide

C17H20N2O5S — CID 55408572

IUPACN-[1-(2,5-dimethoxyphenyl)ethyl]-4-sulfamoylbenzamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C17H20N2O5S/c1-11(15-10-13(23-2)6-9-16(15)24-3)19-17(20)12-4-7-14(8-5-12)25(18,21)22/h4-11H,1-3H3,(H,19,20)(H2,18,21,22)
InChIKeyDCLINQLVWWXXCV-UHFFFAOYSA-N
MW364.42 g/mol
LogP1.84
Rot. Bonds6

About N-[1-(2,5-dimethoxyphenyl)ethyl]-4-sulfamoylbenzamide

N-[1-(2,5-dimethoxyphenyl)ethyl]-4-sulfamoylbenzamide (PubChem CID 55408572) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is N-[1-(2,5-dimethoxyphenyl)ethyl]-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethoxyphenyl)ethyl]-4-sulfamoylbenzamide
PubChem CID55408572
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC NameN-[1-(2,5-dimethoxyphenyl)ethyl]-4-sulfamoylbenzamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C17H20N2O5S/c1-11(15-10-13(23-2)6-9-16(15)24-3)19-17(20)12-4-7-14(8-5-12)25(18,21)22/h4-11H,1-3H3,(H,19,20)(H2,18,21,22)
InChIKeyDCLINQLVWWXXCV-UHFFFAOYSA-N
XLogP1.84
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(difluoromethylsulfonyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide
CID 9194269
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluorobenzamide
CID 880770
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9477031
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 125052999
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide
CID 133160272
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3,4-dimethylbenzamide
CID 9477021
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide
CID 133210747
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluoro-4-methoxybenzamide
CID 22107778
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-prop-2-enoxybenzamide
CID 133200218
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-(methylsulfanylmethyl)benzamide
CID 9477750
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide
CID 18116626
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 100712170

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-4-sulfamoylbenzamide?
The IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-4-sulfamoylbenzamide (CID 55408572) is N-[1-(2,5-dimethoxyphenyl)ethyl]-4-sulfamoylbenzamide.
What is the SMILES notation for N-[1-(2,5-dimethoxyphenyl)ethyl]-4-sulfamoylbenzamide?
The canonical SMILES for N-[1-(2,5-dimethoxyphenyl)ethyl]-4-sulfamoylbenzamide is COc1ccc(OC)c(C(C)NC(=O)c2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of N-[1-(2,5-dimethoxyphenyl)ethyl]-4-sulfamoylbenzamide?
The InChIKey is DCLINQLVWWXXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S/c1-11(15-10-13(23-2)6-9-16(15)24-3)19-17(20)12-4-7-14(8-5-12)25(18,21)22/h4-11H,1-3H3,(H,19,20)(H2,18,21,22).
What are the key properties of N-[1-(2,5-dimethoxyphenyl)ethyl]-4-sulfamoylbenzamide?
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-sulfamoylbenzamide has a molecular weight of 364.42 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethoxyphenyl)ethyl]-4-sulfamoylbenzamide is sourced from PubChem (CID 55408572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).