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

C22H30N2O6S — CID 43874005

IUPAC3-(diethylsulfamoyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NC(C)c2ccc(OC)c(OC)c2)ccc1OC
InChIInChI=1S/C22H30N2O6S/c1-7-24(8-2)31(26,27)21-14-17(10-12-19(21)29-5)22(25)23-15(3)16-9-11-18(28-4)20(13-16)30-6/h9-15H,7-8H2,1-6H3,(H,23,25)
InChIKeyNTASUMHUOHDARH-UHFFFAOYSA-N
MW450.56 g/mol
LogP3.23
Rot. Bonds10

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

3-(diethylsulfamoyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide (PubChem CID 43874005) has the molecular formula C22H30N2O6S and a molecular weight of 450.56 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide
PubChem CID43874005
Molecular FormulaC22H30N2O6S
Molecular Weight450.56 g/mol
Exact Mass450.18
IUPAC Name3-(diethylsulfamoyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NC(C)c2ccc(OC)c(OC)c2)ccc1OC
InChIInChI=1S/C22H30N2O6S/c1-7-24(8-2)31(26,27)21-14-17(10-12-19(21)29-5)22(25)23-15(3)16-9-11-18(28-4)20(13-16)30-6/h9-15H,7-8H2,1-6H3,(H,23,25)
InChIKeyNTASUMHUOHDARH-UHFFFAOYSA-N
XLogP3.23
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(diethylsulfamoyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylbenzamide
CID 55595903
3-(diethylsulfamoyl)-4-methoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzamide
CID 30402509
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
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 28557637
N-(dicyclopropylmethyl)-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 24620703
2-[4-chloro-2-(diethylsulfamoyl)phenoxy]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 30145867
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 55454405
3-(diethylsulfamoyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-methoxybenzamide
CID 55387829
4-tert-butyl-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 1344308
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 55948926
3-(benzylsulfamoyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide
CID 28557712

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide?
The IUPAC name of 3-(diethylsulfamoyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide (CID 43874005) is 3-(diethylsulfamoyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)NC(C)c2ccc(OC)c(OC)c2)ccc1OC.
What is the InChIKey of 3-(diethylsulfamoyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide?
The InChIKey is NTASUMHUOHDARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O6S/c1-7-24(8-2)31(26,27)21-14-17(10-12-19(21)29-5)22(25)23-15(3)16-9-11-18(28-4)20(13-16)30-6/h9-15H,7-8H2,1-6H3,(H,23,25).
What are the key properties of 3-(diethylsulfamoyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide?
3-(diethylsulfamoyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide has a molecular weight of 450.56 g/mol, XLogP of 3.23, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide is sourced from PubChem (CID 43874005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).