(2S)-N-[(3-ethoxyphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide

C20H26N2O5S — CID 94013320

IUPAC(2S)-N-[(3-ethoxyphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
SMILESCCOc1cccc(CNC(=O)[C@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C20H26N2O5S/c1-5-27-19-8-6-7-16(13-19)14-21-20(23)15(2)22(28(4,24)25)17-9-11-18(26-3)12-10-17/h6-13,15H,5,14H2,1-4H3,(H,21,23)/t15-/m0/s1
InChIKeyGIFSGJKNNIEZLE-HNNXBMFYSA-N
MW406.50 g/mol
LogP2.56
Rot. Bonds9

About (2S)-N-[(3-ethoxyphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide

(2S)-N-[(3-ethoxyphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide (PubChem CID 94013320) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is (2S)-N-[(3-ethoxyphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound Name(2S)-N-[(3-ethoxyphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
PubChem CID94013320
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC Name(2S)-N-[(3-ethoxyphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
SMILESCCOc1cccc(CNC(=O)[C@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C20H26N2O5S/c1-5-27-19-8-6-7-16(13-19)14-21-20(23)15(2)22(28(4,24)25)17-9-11-18(26-3)12-10-17/h6-13,15H,5,14H2,1-4H3,(H,21,23)/t15-/m0/s1
InChIKeyGIFSGJKNNIEZLE-HNNXBMFYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 92677922
2-(4-ethoxy-N-methylsulfonylanilino)-N-[(3-ethoxyphenyl)methyl]butanamide
CID 132670191
2-(4-methoxy-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide
CID 133218780
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(3-methoxyphenyl)methyl]propanamide
CID 53288405
(2R)-N-[(2-ethoxyphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 92677455
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 132947898
(2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 99959242
(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 125072340
N-[(4-chlorophenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 3715471
2-(3-methoxy-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide
CID 133218876
N-[(4-ethoxyphenyl)methyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide
CID 132659326
(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 51422980

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3-ethoxyphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide?
The IUPAC name of (2S)-N-[(3-ethoxyphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide (CID 94013320) is (2S)-N-[(3-ethoxyphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for (2S)-N-[(3-ethoxyphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide?
The canonical SMILES for (2S)-N-[(3-ethoxyphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide is CCOc1cccc(CNC(=O)[C@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)c1.
What is the InChIKey of (2S)-N-[(3-ethoxyphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide?
The InChIKey is GIFSGJKNNIEZLE-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-5-27-19-8-6-7-16(13-19)14-21-20(23)15(2)22(28(4,24)25)17-9-11-18(26-3)12-10-17/h6-13,15H,5,14H2,1-4H3,(H,21,23)/t15-/m0/s1.
What are the key properties of (2S)-N-[(3-ethoxyphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide?
(2S)-N-[(3-ethoxyphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide has a molecular weight of 406.50 g/mol, XLogP of 2.56, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3-ethoxyphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 94013320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).