ethyl 2-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylanilino]-2-oxoacetate

C17H24N2O5S — CID 7369009

IUPACethyl 2-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylanilino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2CC)cc1
InChIInChI=1S/C17H24N2O5S/c1-3-14-7-5-6-12-19(14)25(22,23)15-10-8-13(9-11-15)18-16(20)17(21)24-4-2/h8-11,14H,3-7,12H2,1-2H3,(H,18,20)/t14-/m1/s1
InChIKeySGYJPWZGQSSKSH-CQSZACIVSA-N
MW368.46 g/mol
LogP2.14
Rot. Bonds5

About ethyl 2-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylanilino]-2-oxoacetate

ethyl 2-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylanilino]-2-oxoacetate (PubChem CID 7369009) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is ethyl 2-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylanilino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylanilino]-2-oxoacetate
PubChem CID7369009
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC Nameethyl 2-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylanilino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2CC)cc1
InChIInChI=1S/C17H24N2O5S/c1-3-14-7-5-6-12-19(14)25(22,23)15-10-8-13(9-11-15)18-16(20)17(21)24-4-2/h8-11,14H,3-7,12H2,1-2H3,(H,18,20)/t14-/m1/s1
InChIKeySGYJPWZGQSSKSH-CQSZACIVSA-N
XLogP2.14
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

methyl N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]carbamate
CID 40635393
2-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 28962638
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-2-methylbutanamide
CID 17256766
2-ethyl-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]butanamide
CID 4590168
(2R)-2-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]propanamide
CID 92660341
3-chloro-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]propanamide
CID 17147787
3,4-diethoxy-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17256634
2-(4-ethylpiperazin-1-yl)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 17066658
4-chloro-N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]benzamide
CID 41121275
ethyl 2-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methylamino]-2-oxoacetate
CID 7286192
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-2-(4-methoxyphenoxy)acetamide
CID 5169215
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3,4,5-trimethoxybenzamide
CID 3962822

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylanilino]-2-oxoacetate?
The IUPAC name of ethyl 2-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylanilino]-2-oxoacetate (CID 7369009) is ethyl 2-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylanilino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylanilino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylanilino]-2-oxoacetate is CCOC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2CC)cc1.
What is the InChIKey of ethyl 2-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylanilino]-2-oxoacetate?
The InChIKey is SGYJPWZGQSSKSH-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N2O5S/c1-3-14-7-5-6-12-19(14)25(22,23)15-10-8-13(9-11-15)18-16(20)17(21)24-4-2/h8-11,14H,3-7,12H2,1-2H3,(H,18,20)/t14-/m1/s1.
What are the key properties of ethyl 2-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylanilino]-2-oxoacetate?
ethyl 2-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylanilino]-2-oxoacetate has a molecular weight of 368.46 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylanilino]-2-oxoacetate is sourced from PubChem (CID 7369009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).