(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[3-(methoxymethyl)phenyl]propanamide

C20H26N2O5S — CID 125058110

IUPAC(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[3-(methoxymethyl)phenyl]propanamide
SMILESCCOc1ccc(N([C@H](C)C(=O)Nc2cccc(COC)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H26N2O5S/c1-5-27-19-11-9-18(10-12-19)22(28(4,24)25)15(2)20(23)21-17-8-6-7-16(13-17)14-26-3/h6-13,15H,5,14H2,1-4H3,(H,21,23)/t15-/m1/s1
InChIKeyXMJHRQFOEHTRQL-OAHLLOKOSA-N
MW406.50 g/mol
LogP3.02
Rot. Bonds9

About (2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[3-(methoxymethyl)phenyl]propanamide

(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[3-(methoxymethyl)phenyl]propanamide (PubChem CID 125058110) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is (2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[3-(methoxymethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[3-(methoxymethyl)phenyl]propanamide
PubChem CID125058110
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC Name(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[3-(methoxymethyl)phenyl]propanamide
SMILESCCOc1ccc(N([C@H](C)C(=O)Nc2cccc(COC)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H26N2O5S/c1-5-27-19-11-9-18(10-12-19)22(28(4,24)25)15(2)20(23)21-17-8-6-7-16(13-17)14-26-3/h6-13,15H,5,14H2,1-4H3,(H,21,23)/t15-/m1/s1
InChIKeyXMJHRQFOEHTRQL-OAHLLOKOSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(3-chlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 1317717
(2S)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 1320042
(2S)-N-(4-chlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 1321192
(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 1333959
(2S)-N-(4-bromophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 1333977
N-[3-(methoxymethyl)phenyl]-2-(N-methylsulfonylanilino)butanamide
CID 133229425
2-(4-ethyl-N-methylsulfonylanilino)-N-(3-methoxyphenyl)propanamide
CID 132656595
(2S)-N-[3-(methoxymethyl)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100562241
(2S)-N-[(3-ethoxyphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 94013320
(2S)-N-(3-bromophenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1100075
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[3-(methoxymethyl)phenyl]propanamide
CID 133229286
2-[[(2R)-2-(4-ethoxy-N-methylsulfonylanilino)propanoyl]amino]benzamide
CID 126029750

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[3-(methoxymethyl)phenyl]propanamide?
The IUPAC name of (2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[3-(methoxymethyl)phenyl]propanamide (CID 125058110) is (2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[3-(methoxymethyl)phenyl]propanamide.
What is the SMILES notation for (2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[3-(methoxymethyl)phenyl]propanamide?
The canonical SMILES for (2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[3-(methoxymethyl)phenyl]propanamide is CCOc1ccc(N([C@H](C)C(=O)Nc2cccc(COC)c2)S(C)(=O)=O)cc1.
What is the InChIKey of (2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[3-(methoxymethyl)phenyl]propanamide?
The InChIKey is XMJHRQFOEHTRQL-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-5-27-19-11-9-18(10-12-19)22(28(4,24)25)15(2)20(23)21-17-8-6-7-16(13-17)14-26-3/h6-13,15H,5,14H2,1-4H3,(H,21,23)/t15-/m1/s1.
What are the key properties of (2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[3-(methoxymethyl)phenyl]propanamide?
(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[3-(methoxymethyl)phenyl]propanamide has a molecular weight of 406.50 g/mol, XLogP of 3.02, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[3-(methoxymethyl)phenyl]propanamide is sourced from PubChem (CID 125058110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).