(2R)-2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(2-methyl-1-phenylpropan-2-yl)propanamide

C22H30N2O5S — CID 125057990

IUPAC(2R)-2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(2-methyl-1-phenylpropan-2-yl)propanamide
SMILESCOc1ccc(OC)c(N([C@H](C)C(=O)NC(C)(C)Cc2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C22H30N2O5S/c1-16(21(25)23-22(2,3)15-17-10-8-7-9-11-17)24(30(6,26)27)19-14-18(28-4)12-13-20(19)29-5/h7-14,16H,15H2,1-6H3,(H,23,25)/t16-/m1/s1
InChIKeyNFYRZIJXYIJFOQ-MRXNPFEDSA-N
MW434.56 g/mol
LogP3.00
Rot. Bonds9

About (2R)-2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(2-methyl-1-phenylpropan-2-yl)propanamide

(2R)-2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(2-methyl-1-phenylpropan-2-yl)propanamide (PubChem CID 125057990) has the molecular formula C22H30N2O5S and a molecular weight of 434.56 g/mol. Its IUPAC name is (2R)-2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(2-methyl-1-phenylpropan-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(2-methyl-1-phenylpropan-2-yl)propanamide
PubChem CID125057990
Molecular FormulaC22H30N2O5S
Molecular Weight434.56 g/mol
Exact Mass434.19
IUPAC Name(2R)-2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(2-methyl-1-phenylpropan-2-yl)propanamide
SMILESCOc1ccc(OC)c(N([C@H](C)C(=O)NC(C)(C)Cc2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C22H30N2O5S/c1-16(21(25)23-22(2,3)15-17-10-8-7-9-11-17)24(30(6,26)27)19-14-18(28-4)12-13-20(19)29-5/h7-14,16H,15H2,1-6H3,(H,23,25)/t16-/m1/s1
InChIKeyNFYRZIJXYIJFOQ-MRXNPFEDSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2-methyl-1-phenylpropan-2-yl)propanamide
CID 133160344
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]propanamide
CID 132662723
N-(2-methyl-1-phenylpropan-2-yl)-2-(N-methylsulfonylanilino)propanamide
CID 133162015
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide
CID 133218878
(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methyl-1-phenylpropan-2-yl)propanamide
CID 125064613
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(3,5-dimethylphenyl)propanamide
CID 132662721
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-methyl-1-phenylpropan-2-yl)propanamide
CID 133187707
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 133162977
(2R)-N-tert-butyl-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)propanamide
CID 124561278
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[3-(4-methylphenyl)propyl]propanamide
CID 132670161
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 133166274
(2S)-2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-methyl-1-phenylpropan-2-yl)propanamide
CID 100517542

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(2-methyl-1-phenylpropan-2-yl)propanamide?
The IUPAC name of (2R)-2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(2-methyl-1-phenylpropan-2-yl)propanamide (CID 125057990) is (2R)-2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(2-methyl-1-phenylpropan-2-yl)propanamide.
What is the SMILES notation for (2R)-2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(2-methyl-1-phenylpropan-2-yl)propanamide?
The canonical SMILES for (2R)-2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(2-methyl-1-phenylpropan-2-yl)propanamide is COc1ccc(OC)c(N([C@H](C)C(=O)NC(C)(C)Cc2ccccc2)S(C)(=O)=O)c1.
What is the InChIKey of (2R)-2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(2-methyl-1-phenylpropan-2-yl)propanamide?
The InChIKey is NFYRZIJXYIJFOQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H30N2O5S/c1-16(21(25)23-22(2,3)15-17-10-8-7-9-11-17)24(30(6,26)27)19-14-18(28-4)12-13-20(19)29-5/h7-14,16H,15H2,1-6H3,(H,23,25)/t16-/m1/s1.
What are the key properties of (2R)-2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(2-methyl-1-phenylpropan-2-yl)propanamide?
(2R)-2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(2-methyl-1-phenylpropan-2-yl)propanamide has a molecular weight of 434.56 g/mol, XLogP of 3.00, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(2-methyl-1-phenylpropan-2-yl)propanamide is sourced from PubChem (CID 125057990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).