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

C22H30N2O7S — CID 30149563

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

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

N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide (PubChem CID 30149563) 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-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide
PubChem CID30149563
Molecular FormulaC22H30N2O7S
Molecular Weight466.56 g/mol
Exact Mass466.18
IUPAC NameN-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide
SMILESCCN(c1cc(OC)c(OC)cc1C(=O)N[C@H](C)c1ccc(OC)c(OC)c1)S(C)(=O)=O
InChIInChI=1S/C22H30N2O7S/c1-8-24(32(7,26)27)17-13-21(31-6)20(30-5)12-16(17)22(25)23-14(2)15-9-10-18(28-3)19(11-15)29-4/h9-14H,8H2,1-7H3,(H,23,25)/t14-/m1/s1
InChIKeyZLENKUAUNAUUPG-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-[(1S)-1-(4-bromophenyl)ethyl]-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide
CID 30149538
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide
CID 30150470
2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxy-N-methylbenzamide
CID 30148750
2-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-(4-chlorophenyl)ethyl]-4,5-dimethoxybenzamide
CID 30151241
2-[benzyl(methylsulfonyl)amino]-N-[(1S)-1-(3-bromophenyl)ethyl]-4,5-dimethoxybenzamide
CID 94863060
2-[benzyl(methylsulfonyl)amino]-4,5-dimethoxy-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 43889399
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-[4-[ethyl(methylsulfonyl)amino]phenoxy]acetamide
CID 28561063
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide
CID 43904621
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 30387865
2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxy-N-(2-methoxyphenyl)benzamide
CID 30149122
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(2-ethyl-N-methylsulfonylanilino)acetamide
CID 30388896
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 30398853

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide?
The IUPAC name of N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide (CID 30149563) is N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide.
What is the SMILES notation for N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide?
The canonical SMILES for N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide is CCN(c1cc(OC)c(OC)cc1C(=O)N[C@H](C)c1ccc(OC)c(OC)c1)S(C)(=O)=O.
What is the InChIKey of N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide?
The InChIKey is ZLENKUAUNAUUPG-CQSZACIVSA-N. The full InChI is InChI=1S/C22H30N2O7S/c1-8-24(32(7,26)27)17-13-21(31-6)20(30-5)12-16(17)22(25)23-14(2)15-9-10-18(28-3)19(11-15)29-4/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-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide?
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[ethyl(methylsulfonyl)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-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide is sourced from PubChem (CID 30149563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).