2-(2-methoxy-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)propyl]acetamide

C20H26N2O5S — CID 43885818

IUPAC2-(2-methoxy-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)propyl]acetamide
SMILESCCC(NC(=O)CN(c1ccccc1OC)S(C)(=O)=O)c1ccc(OC)cc1
InChIInChI=1S/C20H26N2O5S/c1-5-17(15-10-12-16(26-2)13-11-15)21-20(23)14-22(28(4,24)25)18-8-6-7-9-19(18)27-3/h6-13,17H,5,14H2,1-4H3,(H,21,23)
InChIKeySNGISNFHTLIRKV-UHFFFAOYSA-N
MW406.50 g/mol
LogP2.74
Rot. Bonds9

About 2-(2-methoxy-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)propyl]acetamide

2-(2-methoxy-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)propyl]acetamide (PubChem CID 43885818) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is 2-(2-methoxy-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxy-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)propyl]acetamide
PubChem CID43885818
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC Name2-(2-methoxy-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)propyl]acetamide
SMILESCCC(NC(=O)CN(c1ccccc1OC)S(C)(=O)=O)c1ccc(OC)cc1
InChIInChI=1S/C20H26N2O5S/c1-5-17(15-10-12-16(26-2)13-11-15)21-20(23)14-22(28(4,24)25)18-8-6-7-9-19(18)27-3/h6-13,17H,5,14H2,1-4H3,(H,21,23)
InChIKeySNGISNFHTLIRKV-UHFFFAOYSA-N
XLogP2.74
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
CID 30220367
2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[(1R)-1-phenylpropyl]acetamide
CID 30396951
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 43896154
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
CID 92685281
N-[(1S)-1-(4-methoxyphenyl)propyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 92681523
2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 28573016
2-(3-methoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 28632681
2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[1-(3,4-dimethylphenyl)propyl]acetamide
CID 43895681
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 28572366
N-[1-(3,4-dimethylphenyl)propyl]-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 43901691
N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30303449
2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 100536656

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)propyl]acetamide?
The IUPAC name of 2-(2-methoxy-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)propyl]acetamide (CID 43885818) is 2-(2-methoxy-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)propyl]acetamide.
What is the SMILES notation for 2-(2-methoxy-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)propyl]acetamide?
The canonical SMILES for 2-(2-methoxy-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)propyl]acetamide is CCC(NC(=O)CN(c1ccccc1OC)S(C)(=O)=O)c1ccc(OC)cc1.
What is the InChIKey of 2-(2-methoxy-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)propyl]acetamide?
The InChIKey is SNGISNFHTLIRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-5-17(15-10-12-16(26-2)13-11-15)21-20(23)14-22(28(4,24)25)18-8-6-7-9-19(18)27-3/h6-13,17H,5,14H2,1-4H3,(H,21,23).
What are the key properties of 2-(2-methoxy-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)propyl]acetamide?
2-(2-methoxy-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)propyl]acetamide has a molecular weight of 406.50 g/mol, XLogP of 2.74, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)propyl]acetamide is sourced from PubChem (CID 43885818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).