ethyl 1-[3-[4-(propan-2-ylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate

C20H30N2O5S — CID 1090417

IUPACethyl 1-[3-[4-(propan-2-ylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CCc2ccc(S(=O)(=O)NC(C)C)cc2)CC1
InChIInChI=1S/C20H30N2O5S/c1-4-27-20(24)17-11-13-22(14-12-17)19(23)10-7-16-5-8-18(9-6-16)28(25,26)21-15(2)3/h5-6,8-9,15,17,21H,4,7,10-14H2,1-3H3
InChIKeyLGNGSJDPOGFTHS-UHFFFAOYSA-N
MW410.54 g/mol
LogP2.11
Rot. Bonds8

About ethyl 1-[3-[4-(propan-2-ylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate

ethyl 1-[3-[4-(propan-2-ylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate (PubChem CID 1090417) has the molecular formula C20H30N2O5S and a molecular weight of 410.54 g/mol. Its IUPAC name is ethyl 1-[3-[4-(propan-2-ylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-[4-(propan-2-ylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate
PubChem CID1090417
Molecular FormulaC20H30N2O5S
Molecular Weight410.54 g/mol
Exact Mass410.19
IUPAC Nameethyl 1-[3-[4-(propan-2-ylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CCc2ccc(S(=O)(=O)NC(C)C)cc2)CC1
InChIInChI=1S/C20H30N2O5S/c1-4-27-20(24)17-11-13-22(14-12-17)19(23)10-7-16-5-8-18(9-6-16)28(25,26)21-15(2)3/h5-6,8-9,15,17,21H,4,7,10-14H2,1-3H3
InChIKeyLGNGSJDPOGFTHS-UHFFFAOYSA-N
XLogP2.11
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 1-[(4-methylphenyl)sulfonyl]piperidine-4-carboxylate
CID 818681
N-cyclohexyl-3-{4-[(isobutylamino)sulfonyl]phenyl}propanamide
CID 1210859
Ethyl 4-(3-{4-[(isobutylamino)sulfonyl]phenyl}propanoyl)-1-piperazinecarboxylate
CID 2950527
N-ethyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 3161026
Ethyl 1-((4-methylphenyl)sulfonyl)-3-oxo-2-piperazineacetate
CID 3841623
Ethyl 4-[3-(4-{[(2-phenylethyl)amino]sulfonyl}phenyl)propanoyl]-1-piperazinecarboxylate
CID 2957807
N-tert-Butyl-4-(3-morpholin-4-yl-3-oxo-propyl)-benzenesulfonamide
CID 651639
4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-propylbenzenesulfonamide
CID 653436
(S)-3-methyl-2-(1-((2S,3S)-3-methyl-2-(4-methylphenylsulfonamido)pentanoyl)piperidine-4-carboxamido)butanoic acid
CID 663655
N-isopropyl-4-[3-oxo-3-(1-pyrrolidinyl)propyl]benzenesulfonamide
CID 978022
N-cyclohexyl-4-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 1006987
N-tert-butyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 1007879

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-[4-(propan-2-ylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[3-[4-(propan-2-ylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate (CID 1090417) is ethyl 1-[3-[4-(propan-2-ylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-[4-(propan-2-ylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[3-[4-(propan-2-ylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CCc2ccc(S(=O)(=O)NC(C)C)cc2)CC1.
What is the InChIKey of ethyl 1-[3-[4-(propan-2-ylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate?
The InChIKey is LGNGSJDPOGFTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O5S/c1-4-27-20(24)17-11-13-22(14-12-17)19(23)10-7-16-5-8-18(9-6-16)28(25,26)21-15(2)3/h5-6,8-9,15,17,21H,4,7,10-14H2,1-3H3.
What are the key properties of ethyl 1-[3-[4-(propan-2-ylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate?
ethyl 1-[3-[4-(propan-2-ylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate has a molecular weight of 410.54 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-[4-(propan-2-ylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 1090417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).