ethyl 2-[[5-cyclopropyl-6-(2-methylpropylsulfonyl)pyridine-2-carbonyl]amino]-2-ethylbutanoate

C21H32N2O5S — CID 71087758

IUPACethyl 2-[[5-cyclopropyl-6-(2-methylpropylsulfonyl)pyridine-2-carbonyl]amino]-2-ethylbutanoate
SMILESCCOC(=O)C(CC)(CC)NC(=O)c1ccc(C2CC2)c(S(=O)(=O)CC(C)C)n1
InChIInChI=1S/C21H32N2O5S/c1-6-21(7-2,20(25)28-8-3)23-18(24)17-12-11-16(15-9-10-15)19(22-17)29(26,27)13-14(4)5/h11-12,14-15H,6-10,13H2,1-5H3,(H,23,24)
InChIKeyCKOMFZUONBRXSO-UHFFFAOYSA-N
MW424.56 g/mol
LogP3.24
Rot. Bonds10

About ethyl 2-[[5-cyclopropyl-6-(2-methylpropylsulfonyl)pyridine-2-carbonyl]amino]-2-ethylbutanoate

ethyl 2-[[5-cyclopropyl-6-(2-methylpropylsulfonyl)pyridine-2-carbonyl]amino]-2-ethylbutanoate (PubChem CID 71087758) has the molecular formula C21H32N2O5S and a molecular weight of 424.56 g/mol. Its IUPAC name is ethyl 2-[[5-cyclopropyl-6-(2-methylpropylsulfonyl)pyridine-2-carbonyl]amino]-2-ethylbutanoate.

Molecular Properties

Compound Nameethyl 2-[[5-cyclopropyl-6-(2-methylpropylsulfonyl)pyridine-2-carbonyl]amino]-2-ethylbutanoate
PubChem CID71087758
Molecular FormulaC21H32N2O5S
Molecular Weight424.56 g/mol
Exact Mass424.20
IUPAC Nameethyl 2-[[5-cyclopropyl-6-(2-methylpropylsulfonyl)pyridine-2-carbonyl]amino]-2-ethylbutanoate
SMILESCCOC(=O)C(CC)(CC)NC(=O)c1ccc(C2CC2)c(S(=O)(=O)CC(C)C)n1
InChIInChI=1S/C21H32N2O5S/c1-6-21(7-2,20(25)28-8-3)23-18(24)17-12-11-16(15-9-10-15)19(22-17)29(26,27)13-14(4)5/h11-12,14-15H,6-10,13H2,1-5H3,(H,23,24)
InChIKeyCKOMFZUONBRXSO-UHFFFAOYSA-N
XLogP3.24
TPSA102.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.56
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-cyclopropyl-6-(2-methylpropylsulfonyl)pyridine-2-carbonyl]amino]-2-ethylbutanoate?
The IUPAC name of ethyl 2-[[5-cyclopropyl-6-(2-methylpropylsulfonyl)pyridine-2-carbonyl]amino]-2-ethylbutanoate (CID 71087758) is ethyl 2-[[5-cyclopropyl-6-(2-methylpropylsulfonyl)pyridine-2-carbonyl]amino]-2-ethylbutanoate.
What is the SMILES notation for ethyl 2-[[5-cyclopropyl-6-(2-methylpropylsulfonyl)pyridine-2-carbonyl]amino]-2-ethylbutanoate?
The canonical SMILES for ethyl 2-[[5-cyclopropyl-6-(2-methylpropylsulfonyl)pyridine-2-carbonyl]amino]-2-ethylbutanoate is CCOC(=O)C(CC)(CC)NC(=O)c1ccc(C2CC2)c(S(=O)(=O)CC(C)C)n1.
What is the InChIKey of ethyl 2-[[5-cyclopropyl-6-(2-methylpropylsulfonyl)pyridine-2-carbonyl]amino]-2-ethylbutanoate?
The InChIKey is CKOMFZUONBRXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O5S/c1-6-21(7-2,20(25)28-8-3)23-18(24)17-12-11-16(15-9-10-15)19(22-17)29(26,27)13-14(4)5/h11-12,14-15H,6-10,13H2,1-5H3,(H,23,24).
What are the key properties of ethyl 2-[[5-cyclopropyl-6-(2-methylpropylsulfonyl)pyridine-2-carbonyl]amino]-2-ethylbutanoate?
ethyl 2-[[5-cyclopropyl-6-(2-methylpropylsulfonyl)pyridine-2-carbonyl]amino]-2-ethylbutanoate has a molecular weight of 424.56 g/mol, XLogP of 3.24, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-cyclopropyl-6-(2-methylpropylsulfonyl)pyridine-2-carbonyl]amino]-2-ethylbutanoate is sourced from PubChem (CID 71087758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).