(3R)-N-(2,4-dimethoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide

C19H24N2O6S — CID 100784438

IUPAC(3R)-N-(2,4-dimethoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc([C@@H](CC(=O)Nc2ccc(OC)cc2OC)NS(C)(=O)=O)cc1
InChIInChI=1S/C19H24N2O6S/c1-25-14-7-5-13(6-8-14)17(21-28(4,23)24)12-19(22)20-16-10-9-15(26-2)11-18(16)27-3/h5-11,17,21H,12H2,1-4H3,(H,20,22)/t17-/m1/s1
InChIKeyOSPKWANAVDCTDV-QGZVFWFLSA-N
MW408.48 g/mol
LogP2.33
Rot. Bonds9

About (3R)-N-(2,4-dimethoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide

(3R)-N-(2,4-dimethoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide (PubChem CID 100784438) has the molecular formula C19H24N2O6S and a molecular weight of 408.48 g/mol. Its IUPAC name is (3R)-N-(2,4-dimethoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(3R)-N-(2,4-dimethoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
PubChem CID100784438
Molecular FormulaC19H24N2O6S
Molecular Weight408.48 g/mol
Exact Mass408.14
IUPAC Name(3R)-N-(2,4-dimethoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc([C@@H](CC(=O)Nc2ccc(OC)cc2OC)NS(C)(=O)=O)cc1
InChIInChI=1S/C19H24N2O6S/c1-25-14-7-5-13(6-8-14)17(21-28(4,23)24)12-19(22)20-16-10-9-15(26-2)11-18(16)27-3/h5-11,17,21H,12H2,1-4H3,(H,20,22)/t17-/m1/s1
InChIKeyOSPKWANAVDCTDV-QGZVFWFLSA-N
XLogP2.33
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-N-(2-ethoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784428
(3S)-N-(4-chloro-2-methylphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784376
(3S)-N-(3,4-dimethylphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784326
N-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)butanamide
CID 110297262
3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(4-propan-2-ylphenyl)propanamide
CID 133255422
(3S)-N-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 1309526
(3R)-N-(4-fluorophenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784349
(3R)-N-(5-chloro-2-phenoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784613
(3S)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(3-methylphenyl)propanamide
CID 100784306
3-(methanesulfonamido)-3-(4-methoxyphenyl)propanoic acid
CID 112509655
N-tert-butyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 133241816
(3S)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide
CID 100784179

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2,4-dimethoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide?
The IUPAC name of (3R)-N-(2,4-dimethoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide (CID 100784438) is (3R)-N-(2,4-dimethoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for (3R)-N-(2,4-dimethoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for (3R)-N-(2,4-dimethoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide is COc1ccc([C@@H](CC(=O)Nc2ccc(OC)cc2OC)NS(C)(=O)=O)cc1.
What is the InChIKey of (3R)-N-(2,4-dimethoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide?
The InChIKey is OSPKWANAVDCTDV-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H24N2O6S/c1-25-14-7-5-13(6-8-14)17(21-28(4,23)24)12-19(22)20-16-10-9-15(26-2)11-18(16)27-3/h5-11,17,21H,12H2,1-4H3,(H,20,22)/t17-/m1/s1.
What are the key properties of (3R)-N-(2,4-dimethoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide?
(3R)-N-(2,4-dimethoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide has a molecular weight of 408.48 g/mol, XLogP of 2.33, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2,4-dimethoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 100784438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).