ethyl 4-[[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]amino]piperidine-1-carboxylate

C20H29N3O6S — CID 42910636

IUPACethyl 4-[[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cccc(S(=O)(=O)NCC3CCCO3)c2)CC1
InChIInChI=1S/C20H29N3O6S/c1-2-28-20(25)23-10-8-16(9-11-23)22-19(24)15-5-3-7-18(13-15)30(26,27)21-14-17-6-4-12-29-17/h3,5,7,13,16-17,21H,2,4,6,8-12,14H2,1H3,(H,22,24)
InChIKeyDLRYOAQMPPFVAY-UHFFFAOYSA-N
MW439.53 g/mol
LogP1.49
Rot. Bonds7

About ethyl 4-[[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]amino]piperidine-1-carboxylate

ethyl 4-[[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]amino]piperidine-1-carboxylate (PubChem CID 42910636) has the molecular formula C20H29N3O6S and a molecular weight of 439.53 g/mol. Its IUPAC name is ethyl 4-[[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]amino]piperidine-1-carboxylate
PubChem CID42910636
Molecular FormulaC20H29N3O6S
Molecular Weight439.53 g/mol
Exact Mass439.18
IUPAC Nameethyl 4-[[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cccc(S(=O)(=O)NCC3CCCO3)c2)CC1
InChIInChI=1S/C20H29N3O6S/c1-2-28-20(25)23-10-8-16(9-11-23)22-19(24)15-5-3-7-18(13-15)30(26,27)21-14-17-6-4-12-29-17/h3,5,7,13,16-17,21H,2,4,6,8-12,14H2,1H3,(H,22,24)
InChIKeyDLRYOAQMPPFVAY-UHFFFAOYSA-N
XLogP1.49
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.53
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[[3-(propylsulfamoyl)benzoyl]amino]piperidine-1-carboxylate
CID 109061890
ethyl 1-[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]piperidine-4-carboxylate
CID 43002481
[2-(cyclopentylamino)-2-oxoethyl] 3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 7976970
3-(oxolan-2-ylmethylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 43020050
3-(oxolan-2-ylmethylsulfamoyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 55364440
N-tert-butyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063903
3-(azepane-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 43002594
ethyl 4-[3-(cyclopropylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylate
CID 109062305
N-(4-acetamidophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24539464
3-(4-methylsulfonylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 55822182
N,N-dimethyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 42910274
3-(butylsulfamoyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 27518057

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]amino]piperidine-1-carboxylate (CID 42910636) is ethyl 4-[[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2cccc(S(=O)(=O)NCC3CCCO3)c2)CC1.
What is the InChIKey of ethyl 4-[[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]amino]piperidine-1-carboxylate?
The InChIKey is DLRYOAQMPPFVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O6S/c1-2-28-20(25)23-10-8-16(9-11-23)22-19(24)15-5-3-7-18(13-15)30(26,27)21-14-17-6-4-12-29-17/h3,5,7,13,16-17,21H,2,4,6,8-12,14H2,1H3,(H,22,24).
What are the key properties of ethyl 4-[[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]amino]piperidine-1-carboxylate?
ethyl 4-[[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]amino]piperidine-1-carboxylate has a molecular weight of 439.53 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 42910636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).