3-(diethylsulfamoyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylbenzamide

C22H30N2O5S — CID 55595903

IUPAC3-(diethylsulfamoyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NC(C)c2ccc(OC)c(OC)c2)ccc1C
InChIInChI=1S/C22H30N2O5S/c1-7-24(8-2)30(26,27)21-14-18(10-9-15(21)3)22(25)23-16(4)17-11-12-19(28-5)20(13-17)29-6/h9-14,16H,7-8H2,1-6H3,(H,23,25)
InChIKeyLUJGNJIHAJLEHD-UHFFFAOYSA-N
MW434.56 g/mol
LogP3.53
Rot. Bonds9

About 3-(diethylsulfamoyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylbenzamide

3-(diethylsulfamoyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylbenzamide (PubChem CID 55595903) has the molecular formula C22H30N2O5S and a molecular weight of 434.56 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylbenzamide
PubChem CID55595903
Molecular FormulaC22H30N2O5S
Molecular Weight434.56 g/mol
Exact Mass434.19
IUPAC Name3-(diethylsulfamoyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NC(C)c2ccc(OC)c(OC)c2)ccc1C
InChIInChI=1S/C22H30N2O5S/c1-7-24(8-2)30(26,27)21-14-18(10-9-15(21)3)22(25)23-16(4)17-11-12-19(28-5)20(13-17)29-6/h9-14,16H,7-8H2,1-6H3,(H,23,25)
InChIKeyLUJGNJIHAJLEHD-UHFFFAOYSA-N
XLogP3.53
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(diethylsulfamoyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide
CID 43874005
3-(diethylsulfamoyl)-4-methoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzamide
CID 30402509
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide
CID 43874097
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 28557637
3-(diethylsulfamoyl)-4-methoxy-N-(1-pyridin-3-ylethyl)benzamide
CID 18162957
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 28557669
3-(diethylsulfamoyl)-N-(2-methoxy-5-methylphenyl)-4-methylbenzamide
CID 26414114
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 55454405
4-tert-butyl-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 1344308
N-(3-amino-4-methoxyphenyl)-3-(diethylsulfamoyl)-4-methylbenzamide
CID 119420241
2-[4-chloro-2-(diethylsulfamoyl)phenoxy]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 30145867
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propan-2-ylbenzamide
CID 17329415

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylbenzamide?
The IUPAC name of 3-(diethylsulfamoyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylbenzamide (CID 55595903) is 3-(diethylsulfamoyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylbenzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylbenzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylbenzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)NC(C)c2ccc(OC)c(OC)c2)ccc1C.
What is the InChIKey of 3-(diethylsulfamoyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylbenzamide?
The InChIKey is LUJGNJIHAJLEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O5S/c1-7-24(8-2)30(26,27)21-14-18(10-9-15(21)3)22(25)23-16(4)17-11-12-19(28-5)20(13-17)29-6/h9-14,16H,7-8H2,1-6H3,(H,23,25).
What are the key properties of 3-(diethylsulfamoyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylbenzamide?
3-(diethylsulfamoyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylbenzamide has a molecular weight of 434.56 g/mol, XLogP of 3.53, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylbenzamide is sourced from PubChem (CID 55595903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).