N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide

C22H30N2O7S — CID 30150470

IUPACN-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide
SMILESCCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)N[C@H](C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C22H30N2O7S/c1-8-32(26,27)24(3)17-13-21(31-7)20(30-6)12-16(17)22(25)23-14(2)15-9-10-18(28-4)19(11-15)29-5/h9-14H,8H2,1-7H3,(H,23,25)/t14-/m1/s1
InChIKeyILMPGGHLFDCYBN-CQSZACIVSA-N
MW466.56 g/mol
LogP3.00
Rot. Bonds10

About N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide

N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide (PubChem CID 30150470) has the molecular formula C22H30N2O7S and a molecular weight of 466.56 g/mol. Its IUPAC name is N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide
PubChem CID30150470
Molecular FormulaC22H30N2O7S
Molecular Weight466.56 g/mol
Exact Mass466.18
IUPAC NameN-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide
SMILESCCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)N[C@H](C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C22H30N2O7S/c1-8-32(26,27)24(3)17-13-21(31-7)20(30-6)12-16(17)22(25)23-14(2)15-9-10-18(28-4)19(11-15)29-5/h9-14H,8H2,1-7H3,(H,23,25)/t14-/m1/s1
InChIKeyILMPGGHLFDCYBN-CQSZACIVSA-N
XLogP3.00
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide
CID 30149563
N-benzhydryl-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide
CID 30150400
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide
CID 17329435
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide
CID 30149538
2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxy-N-prop-2-enylbenzamide
CID 30149704
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide
CID 2894493
2-chloro-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55747175
3-(diethylsulfamoyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide
CID 43874005
(2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylpentanamide
CID 61166177
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide
CID 30150068
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2,5-difluorobenzamide
CID 28560307
5-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-fluorobenzamide
CID 94049074

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide?
The IUPAC name of N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide (CID 30150470) is N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide.
What is the SMILES notation for N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide?
The canonical SMILES for N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide is CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)N[C@H](C)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide?
The InChIKey is ILMPGGHLFDCYBN-CQSZACIVSA-N. The full InChI is InChI=1S/C22H30N2O7S/c1-8-32(26,27)24(3)17-13-21(31-7)20(30-6)12-16(17)22(25)23-14(2)15-9-10-18(28-4)19(11-15)29-5/h9-14H,8H2,1-7H3,(H,23,25)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide?
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide has a molecular weight of 466.56 g/mol, XLogP of 3.00, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide is sourced from PubChem (CID 30150470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).