(2R)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-ethyl-N-methylsulfonylanilino)propanamide

C22H30N2O5S — CID 125064126

IUPAC(2R)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-ethyl-N-methylsulfonylanilino)propanamide
SMILESCCc1ccc(N([C@H](C)C(=O)N[C@@H](C)c2cc(OC)ccc2OC)S(C)(=O)=O)cc1
InChIInChI=1S/C22H30N2O5S/c1-7-17-8-10-18(11-9-17)24(30(6,26)27)16(3)22(25)23-15(2)20-14-19(28-4)12-13-21(20)29-5/h8-16H,7H2,1-6H3,(H,23,25)/t15-,16+/m0/s1
InChIKeyJEVLCUBXAIWSNA-JKSUJKDBSA-N
MW434.56 g/mol
LogP3.30
Rot. Bonds9

About (2R)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-ethyl-N-methylsulfonylanilino)propanamide

(2R)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-ethyl-N-methylsulfonylanilino)propanamide (PubChem CID 125064126) has the molecular formula C22H30N2O5S and a molecular weight of 434.56 g/mol. Its IUPAC name is (2R)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-ethyl-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-ethyl-N-methylsulfonylanilino)propanamide
PubChem CID125064126
Molecular FormulaC22H30N2O5S
Molecular Weight434.56 g/mol
Exact Mass434.19
IUPAC Name(2R)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-ethyl-N-methylsulfonylanilino)propanamide
SMILESCCc1ccc(N([C@H](C)C(=O)N[C@@H](C)c2cc(OC)ccc2OC)S(C)(=O)=O)cc1
InChIInChI=1S/C22H30N2O5S/c1-7-17-8-10-18(11-9-17)24(30(6,26)27)16(3)22(25)23-15(2)20-14-19(28-4)12-13-21(20)29-5/h8-16H,7H2,1-6H3,(H,23,25)/t15-,16+/m0/s1
InChIKeyJEVLCUBXAIWSNA-JKSUJKDBSA-N
XLogP3.30
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 125052859
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 133262204
2-(4-ethyl-N-methylsulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 133161659
(2R)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(3-methoxy-N-methylsulfonylanilino)propanamide
CID 125059418
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 133162977
(2R)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide
CID 100641711
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]butanamide
CID 100627065
(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 125057636
2-(4-ethyl-N-methylsulfonylanilino)-N-[1-(4-methoxyphenoxy)propan-2-yl]propanamide
CID 132670203
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-ethylphenyl)acetamide
CID 100562771
(2S)-N-(4-ethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1315154
(2R)-N-(4-ethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1315152

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-ethyl-N-methylsulfonylanilino)propanamide?
The IUPAC name of (2R)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-ethyl-N-methylsulfonylanilino)propanamide (CID 125064126) is (2R)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-ethyl-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for (2R)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-ethyl-N-methylsulfonylanilino)propanamide?
The canonical SMILES for (2R)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-ethyl-N-methylsulfonylanilino)propanamide is CCc1ccc(N([C@H](C)C(=O)N[C@@H](C)c2cc(OC)ccc2OC)S(C)(=O)=O)cc1.
What is the InChIKey of (2R)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-ethyl-N-methylsulfonylanilino)propanamide?
The InChIKey is JEVLCUBXAIWSNA-JKSUJKDBSA-N. The full InChI is InChI=1S/C22H30N2O5S/c1-7-17-8-10-18(11-9-17)24(30(6,26)27)16(3)22(25)23-15(2)20-14-19(28-4)12-13-21(20)29-5/h8-16H,7H2,1-6H3,(H,23,25)/t15-,16+/m0/s1.
What are the key properties of (2R)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-ethyl-N-methylsulfonylanilino)propanamide?
(2R)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-ethyl-N-methylsulfonylanilino)propanamide has a molecular weight of 434.56 g/mol, XLogP of 3.30, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-ethyl-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 125064126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).