ethyl 2-benzyl-3-[2-methyl-1-[methyl(2-pyridin-2-ylethyl)amino]-1-oxopropan-2-yl]sulfonylpropanoate

C24H32N2O5S — CID 57004779

IUPACethyl 2-benzyl-3-[2-methyl-1-[methyl(2-pyridin-2-ylethyl)amino]-1-oxopropan-2-yl]sulfonylpropanoate
SMILESCCOC(=O)C(Cc1ccccc1)CS(=O)(=O)C(C)(C)C(=O)N(C)CCc1ccccn1
InChIInChI=1S/C24H32N2O5S/c1-5-31-22(27)20(17-19-11-7-6-8-12-19)18-32(29,30)24(2,3)23(28)26(4)16-14-21-13-9-10-15-25-21/h6-13,15,20H,5,14,16-18H2,1-4H3
InChIKeyQYQGPBPCZCKGMG-UHFFFAOYSA-N
MW460.60 g/mol
LogP2.70
Rot. Bonds11

About ethyl 2-benzyl-3-[2-methyl-1-[methyl(2-pyridin-2-ylethyl)amino]-1-oxopropan-2-yl]sulfonylpropanoate

ethyl 2-benzyl-3-[2-methyl-1-[methyl(2-pyridin-2-ylethyl)amino]-1-oxopropan-2-yl]sulfonylpropanoate (PubChem CID 57004779) has the molecular formula C24H32N2O5S and a molecular weight of 460.60 g/mol. Its IUPAC name is ethyl 2-benzyl-3-[2-methyl-1-[methyl(2-pyridin-2-ylethyl)amino]-1-oxopropan-2-yl]sulfonylpropanoate.

Molecular Properties

Compound Nameethyl 2-benzyl-3-[2-methyl-1-[methyl(2-pyridin-2-ylethyl)amino]-1-oxopropan-2-yl]sulfonylpropanoate
PubChem CID57004779
Molecular FormulaC24H32N2O5S
Molecular Weight460.60 g/mol
Exact Mass460.20
IUPAC Nameethyl 2-benzyl-3-[2-methyl-1-[methyl(2-pyridin-2-ylethyl)amino]-1-oxopropan-2-yl]sulfonylpropanoate
SMILESCCOC(=O)C(Cc1ccccc1)CS(=O)(=O)C(C)(C)C(=O)N(C)CCc1ccccn1
InChIInChI=1S/C24H32N2O5S/c1-5-31-22(27)20(17-19-11-7-6-8-12-19)18-32(29,30)24(2,3)23(28)26(4)16-14-21-13-9-10-15-25-21/h6-13,15,20H,5,14,16-18H2,1-4H3
InChIKeyQYQGPBPCZCKGMG-UHFFFAOYSA-N
XLogP2.70
TPSA93.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-benzyl-3-[2-methyl-1-[methyl(2-pyridin-2-ylethyl)amino]-1-oxopropan-2-yl]sulfonylpropanoate with MolForge

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Related Compounds

ethyl (2S)-2-benzyl-3-tert-butylsulfonylpropanoate
CID 129362859
2-benzyl-4-[methyl(2-pyridin-2-ylethyl)amino]-4-oxobutanoic acid
CID 19785085
2-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide
CID 116816951
ethyl 3-methyl-2-[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]-3-phenylbutanoate
CID 15018148
(2S)-2-[(4-aminophenyl)sulfonyl-methylamino]-N-methyl-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide
CID 15906447
3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(2-pyridin-2-ylethyl)propanamide
CID 76919338
N-benzyl-N-methyl-2-pyridin-2-ylethanamine;oxalic acid
CID 17384893
2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid
CID 43445021
methyl 2-[methyl(2-pyridin-2-ylethyl)carbamoyl]butanoate
CID 115187986
ethyl 2-[methyl(2-pyridin-2-ylethylsulfonyl)amino]acetate
CID 55008366
2-(2-fluorophenyl)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide
CID 60616184
methyl (2R)-2-[methyl(pyridin-2-ylmethylsulfonyl)amino]-3-phenylpropanoate
CID 167889643

Frequently Asked Questions

What is the IUPAC name of ethyl 2-benzyl-3-[2-methyl-1-[methyl(2-pyridin-2-ylethyl)amino]-1-oxopropan-2-yl]sulfonylpropanoate?
The IUPAC name of ethyl 2-benzyl-3-[2-methyl-1-[methyl(2-pyridin-2-ylethyl)amino]-1-oxopropan-2-yl]sulfonylpropanoate (CID 57004779) is ethyl 2-benzyl-3-[2-methyl-1-[methyl(2-pyridin-2-ylethyl)amino]-1-oxopropan-2-yl]sulfonylpropanoate.
What is the SMILES notation for ethyl 2-benzyl-3-[2-methyl-1-[methyl(2-pyridin-2-ylethyl)amino]-1-oxopropan-2-yl]sulfonylpropanoate?
The canonical SMILES for ethyl 2-benzyl-3-[2-methyl-1-[methyl(2-pyridin-2-ylethyl)amino]-1-oxopropan-2-yl]sulfonylpropanoate is CCOC(=O)C(Cc1ccccc1)CS(=O)(=O)C(C)(C)C(=O)N(C)CCc1ccccn1.
What is the InChIKey of ethyl 2-benzyl-3-[2-methyl-1-[methyl(2-pyridin-2-ylethyl)amino]-1-oxopropan-2-yl]sulfonylpropanoate?
The InChIKey is QYQGPBPCZCKGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O5S/c1-5-31-22(27)20(17-19-11-7-6-8-12-19)18-32(29,30)24(2,3)23(28)26(4)16-14-21-13-9-10-15-25-21/h6-13,15,20H,5,14,16-18H2,1-4H3.
What are the key properties of ethyl 2-benzyl-3-[2-methyl-1-[methyl(2-pyridin-2-ylethyl)amino]-1-oxopropan-2-yl]sulfonylpropanoate?
ethyl 2-benzyl-3-[2-methyl-1-[methyl(2-pyridin-2-ylethyl)amino]-1-oxopropan-2-yl]sulfonylpropanoate has a molecular weight of 460.60 g/mol, XLogP of 2.70, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-benzyl-3-[2-methyl-1-[methyl(2-pyridin-2-ylethyl)amino]-1-oxopropan-2-yl]sulfonylpropanoate is sourced from PubChem (CID 57004779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).