2-(N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide

C20H26N2O6S — CID 132666802

IUPAC2-(N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
SMILESCOc1cc(CNC(=O)C(C)N(c2ccccc2)S(C)(=O)=O)cc(OC)c1OC
InChIInChI=1S/C20H26N2O6S/c1-14(22(29(5,24)25)16-9-7-6-8-10-16)20(23)21-13-15-11-17(26-2)19(28-4)18(12-15)27-3/h6-12,14H,13H2,1-5H3,(H,21,23)
InChIKeyXTSNNXTVCYJOSH-UHFFFAOYSA-N
MW422.50 g/mol
LogP2.18
Rot. Bonds9

About 2-(N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide

2-(N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide (PubChem CID 132666802) has the molecular formula C20H26N2O6S and a molecular weight of 422.50 g/mol. Its IUPAC name is 2-(N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
PubChem CID132666802
Molecular FormulaC20H26N2O6S
Molecular Weight422.50 g/mol
Exact Mass422.15
IUPAC Name2-(N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
SMILESCOc1cc(CNC(=O)C(C)N(c2ccccc2)S(C)(=O)=O)cc(OC)c1OC
InChIInChI=1S/C20H26N2O6S/c1-14(22(29(5,24)25)16-9-7-6-8-10-16)20(23)21-13-15-11-17(26-2)19(28-4)18(12-15)27-3/h6-12,14H,13H2,1-5H3,(H,21,23)
InChIKeyXTSNNXTVCYJOSH-UHFFFAOYSA-N
XLogP2.18
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-benzyl-2-(N-methylsulfonylanilino)propanamide
CID 700385
(2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 99959242
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 132947898
2-(N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 2915171
2-(N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 46772863
2-(4-methoxy-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide
CID 133218780
N-[(2-methoxyphenyl)methyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 23740639
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 92677922
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide
CID 132670248
2-(4-fluoro-N-methylsulfonylanilino)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide
CID 132671453
(2S)-N-(3-methoxypropyl)-2-(N-methylsulfonylanilino)propanamide
CID 2289786
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide
CID 132662735

Frequently Asked Questions

What is the IUPAC name of 2-(N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide?
The IUPAC name of 2-(N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide (CID 132666802) is 2-(N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide.
What is the SMILES notation for 2-(N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide?
The canonical SMILES for 2-(N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide is COc1cc(CNC(=O)C(C)N(c2ccccc2)S(C)(=O)=O)cc(OC)c1OC.
What is the InChIKey of 2-(N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide?
The InChIKey is XTSNNXTVCYJOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O6S/c1-14(22(29(5,24)25)16-9-7-6-8-10-16)20(23)21-13-15-11-17(26-2)19(28-4)18(12-15)27-3/h6-12,14H,13H2,1-5H3,(H,21,23).
What are the key properties of 2-(N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide?
2-(N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide has a molecular weight of 422.50 g/mol, XLogP of 2.18, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide is sourced from PubChem (CID 132666802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).