N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(N-methylsulfonyl-4-propoxyanilino)acetamide

C22H30N2O6S — CID 43900448

IUPACN-[1-(3,4-dimethoxyphenyl)ethyl]-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
SMILESCCCOc1ccc(N(CC(=O)NC(C)c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C22H30N2O6S/c1-6-13-30-19-10-8-18(9-11-19)24(31(5,26)27)15-22(25)23-16(2)17-7-12-20(28-3)21(14-17)29-4/h7-12,14,16H,6,13,15H2,1-5H3,(H,23,25)
InChIKeyUIJAMBYQRMIPRC-UHFFFAOYSA-N
MW450.56 g/mol
LogP3.14
Rot. Bonds11

About N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(N-methylsulfonyl-4-propoxyanilino)acetamide

N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(N-methylsulfonyl-4-propoxyanilino)acetamide (PubChem CID 43900448) has the molecular formula C22H30N2O6S and a molecular weight of 450.56 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(N-methylsulfonyl-4-propoxyanilino)acetamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)ethyl]-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
PubChem CID43900448
Molecular FormulaC22H30N2O6S
Molecular Weight450.56 g/mol
Exact Mass450.18
IUPAC NameN-[1-(3,4-dimethoxyphenyl)ethyl]-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
SMILESCCCOc1ccc(N(CC(=O)NC(C)c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C22H30N2O6S/c1-6-13-30-19-10-8-18(9-11-19)24(31(5,26)27)15-22(25)23-16(2)17-7-12-20(28-3)21(14-17)29-4/h7-12,14,16H,6,13,15H2,1-5H3,(H,23,25)
InChIKeyUIJAMBYQRMIPRC-UHFFFAOYSA-N
XLogP3.14
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 43916316
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 93487781
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 99959520
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-[4-[ethyl(methylsulfonyl)amino]phenoxy]acetamide
CID 28561063
N-[1-(4-methylsulfonylphenyl)ethyl]-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 43901779
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 133230384
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 46763358
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3-methoxy-N-methylsulfonylanilino)acetamide
CID 28573775
2-(3,4-dichloro-N-methylsulfonylanilino)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 28635578
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 28633772
2-(4-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 28631647
N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 43895591

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(N-methylsulfonyl-4-propoxyanilino)acetamide?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(N-methylsulfonyl-4-propoxyanilino)acetamide (CID 43900448) is N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(N-methylsulfonyl-4-propoxyanilino)acetamide.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(N-methylsulfonyl-4-propoxyanilino)acetamide?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(N-methylsulfonyl-4-propoxyanilino)acetamide is CCCOc1ccc(N(CC(=O)NC(C)c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(N-methylsulfonyl-4-propoxyanilino)acetamide?
The InChIKey is UIJAMBYQRMIPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O6S/c1-6-13-30-19-10-8-18(9-11-19)24(31(5,26)27)15-22(25)23-16(2)17-7-12-20(28-3)21(14-17)29-4/h7-12,14,16H,6,13,15H2,1-5H3,(H,23,25).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(N-methylsulfonyl-4-propoxyanilino)acetamide?
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(N-methylsulfonyl-4-propoxyanilino)acetamide has a molecular weight of 450.56 g/mol, XLogP of 3.14, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(N-methylsulfonyl-4-propoxyanilino)acetamide is sourced from PubChem (CID 43900448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).