4-benzyl-N-[2-(4-ethylphenyl)ethyl]-1-(2-methoxyethylsulfamoyl)piperidine-4-carboxamide;4-benzyl-N-[2-(4-ethylphenyl)ethyl]piperidine-4-carboxamide;N-(2-methoxyethyl)-2-oxo-1,3-oxazolidine-3-sulfonamide

C55H79N7O10S2 — CID 158804163

IUPAC4-benzyl-N-[2-(4-ethylphenyl)ethyl]-1-(2-methoxyethylsulfamoyl)piperidine-4-carboxamide;4-benzyl-N-[2-(4-ethylphenyl)ethyl]piperidine-4-carboxamide;N-(2-methoxyethyl)-2-oxo-1,3-oxazolidine-3-sulfonamide
SMILESCCc1ccc(CCNC(=O)C2(Cc3ccccc3)CCN(S(=O)(=O)NCCOC)CC2)cc1.CCc1ccc(CCNC(=O)C2(Cc3ccccc3)CCNCC2)cc1.COCCNS(=O)(=O)N1CCOC1=O
InChIInChI=1S/C26H37N3O4S.C23H30N2O.C6H12N2O5S/c1-3-22-9-11-23(12-10-22)13-16-27-25(30)26(21-24-7-5-4-6-8-24)14-18-29(19-15-26)34(31,32)28-17-20-33-2;1-2-19-8-10-20(11-9-19)12-15-25-22(26)23(13-16-24-17-14-23)18-21-6-4-3-5-7-21;1-12-4-2-7-14(10,11)8-3-5-13-6(8)9/h4-12,28H,3,13-21H2,1-2H3,(H,27,30);3-11,24H,2,12-18H2,1H3,(H,25,26);7H,2-5H2,1H3
InChIKeyITVZAWCMTOTDBO-UHFFFAOYSA-N
MW1062.41 g/mol
LogP5.15
Rot. Bonds24

About 4-benzyl-N-[2-(4-ethylphenyl)ethyl]-1-(2-methoxyethylsulfamoyl)piperidine-4-carboxamide;4-benzyl-N-[2-(4-ethylphenyl)ethyl]piperidine-4-carboxamide;N-(2-methoxyethyl)-2-oxo-1,3-oxazolidine-3-sulfonamide

4-benzyl-N-[2-(4-ethylphenyl)ethyl]-1-(2-methoxyethylsulfamoyl)piperidine-4-carboxamide;4-benzyl-N-[2-(4-ethylphenyl)ethyl]piperidine-4-carboxamide;N-(2-methoxyethyl)-2-oxo-1,3-oxazolidine-3-sulfonamide (PubChem CID 158804163) has the molecular formula C55H79N7O10S2 and a molecular weight of 1062.41 g/mol. Its IUPAC name is 4-benzyl-N-[2-(4-ethylphenyl)ethyl]-1-(2-methoxyethylsulfamoyl)piperidine-4-carboxamide;4-benzyl-N-[2-(4-ethylphenyl)ethyl]piperidine-4-carboxamide;N-(2-methoxyethyl)-2-oxo-1,3-oxazolidine-3-sulfonamide.

Molecular Properties

Compound Name4-benzyl-N-[2-(4-ethylphenyl)ethyl]-1-(2-methoxyethylsulfamoyl)piperidine-4-carboxamide;4-benzyl-N-[2-(4-ethylphenyl)ethyl]piperidine-4-carboxamide;N-(2-methoxyethyl)-2-oxo-1,3-oxazolidine-3-sulfonamide
PubChem CID158804163
Molecular FormulaC55H79N7O10S2
Molecular Weight1062.41 g/mol
Exact Mass1061.53
IUPAC Name4-benzyl-N-[2-(4-ethylphenyl)ethyl]-1-(2-methoxyethylsulfamoyl)piperidine-4-carboxamide;4-benzyl-N-[2-(4-ethylphenyl)ethyl]piperidine-4-carboxamide;N-(2-methoxyethyl)-2-oxo-1,3-oxazolidine-3-sulfonamide
SMILESCCc1ccc(CCNC(=O)C2(Cc3ccccc3)CCN(S(=O)(=O)NCCOC)CC2)cc1.CCc1ccc(CCNC(=O)C2(Cc3ccccc3)CCNCC2)cc1.COCCNS(=O)(=O)N1CCOC1=O
InChIInChI=1S/C26H37N3O4S.C23H30N2O.C6H12N2O5S/c1-3-22-9-11-23(12-10-22)13-16-27-25(30)26(21-24-7-5-4-6-8-24)14-18-29(19-15-26)34(31,32)28-17-20-33-2;1-2-19-8-10-20(11-9-19)12-15-25-22(26)23(13-16-24-17-14-23)18-21-6-4-3-5-7-21;1-12-4-2-7-14(10,11)8-3-5-13-6(8)9/h4-12,28H,3,13-21H2,1-2H3,(H,27,30);3-11,24H,2,12-18H2,1H3,(H,25,26);7H,2-5H2,1H3
InChIKeyITVZAWCMTOTDBO-UHFFFAOYSA-N
XLogP5.15
TPSA213.81 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds24
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001062.41
LogP ≤ 55.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 4-benzyl-N-[2-(4-ethylphenyl)ethyl]-1-(2-methoxyethylsulfamoyl)piperidine-4-carboxamide;4-benzyl-N-[2-(4-ethylphenyl)ethyl]piperidine-4-carboxamide;N-(2-methoxyethyl)-2-oxo-1,3-oxazolidine-3-sulfonamide with MolForge

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Related Compounds

4-benzyl-N-[2-(4-ethylphenyl)ethyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide
CID 23600598
1-[(2-aminoacetyl)-benzylsulfamoyl]-4-benzyl-N-[2-(4-ethylphenyl)ethyl]piperidine-4-carboxamide
CID 59813901
4-benzyl-N-[2-(4-ethylphenyl)ethyl]-1-(3-phenylprop-2-ynoyl)piperidine-4-carboxamide
CID 23600607
4-methoxy-N-(2-phenylethyl)piperidine-4-carboxamide;hydrochloride
CID 119670076
3-ethyl-1-(2-methoxyethylsulfamoyl)pyrrolidine-3-carboxylic acid
CID 114814580
4-(methoxymethyl)-N-(5-phenylpentyl)piperidine-4-carboxamide;hydrochloride
CID 120630674
4-benzyl-N-[2-(4-ethylcyclohexa-1,3-dien-1-yl)ethyl]-1-(morpholine-4-carbonyl)piperidine-4-carboxamide
CID 142821719
4-(methoxymethyl)-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120633664
3-benzyl-N-[2-(4-hydroxyphenyl)ethyl]azetidine-3-carboxamide
CID 166615999
N-(3-benzylsulfonylpropyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120622941
4-benzyl-N-[2-(3,4-dichlorophenyl)ethyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 23600576
N-[2-(4-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide
CID 63129179

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-[2-(4-ethylphenyl)ethyl]-1-(2-methoxyethylsulfamoyl)piperidine-4-carboxamide;4-benzyl-N-[2-(4-ethylphenyl)ethyl]piperidine-4-carboxamide;N-(2-methoxyethyl)-2-oxo-1,3-oxazolidine-3-sulfonamide?
The IUPAC name of 4-benzyl-N-[2-(4-ethylphenyl)ethyl]-1-(2-methoxyethylsulfamoyl)piperidine-4-carboxamide;4-benzyl-N-[2-(4-ethylphenyl)ethyl]piperidine-4-carboxamide;N-(2-methoxyethyl)-2-oxo-1,3-oxazolidine-3-sulfonamide (CID 158804163) is 4-benzyl-N-[2-(4-ethylphenyl)ethyl]-1-(2-methoxyethylsulfamoyl)piperidine-4-carboxamide;4-benzyl-N-[2-(4-ethylphenyl)ethyl]piperidine-4-carboxamide;N-(2-methoxyethyl)-2-oxo-1,3-oxazolidine-3-sulfonamide.
What is the SMILES notation for 4-benzyl-N-[2-(4-ethylphenyl)ethyl]-1-(2-methoxyethylsulfamoyl)piperidine-4-carboxamide;4-benzyl-N-[2-(4-ethylphenyl)ethyl]piperidine-4-carboxamide;N-(2-methoxyethyl)-2-oxo-1,3-oxazolidine-3-sulfonamide?
The canonical SMILES for 4-benzyl-N-[2-(4-ethylphenyl)ethyl]-1-(2-methoxyethylsulfamoyl)piperidine-4-carboxamide;4-benzyl-N-[2-(4-ethylphenyl)ethyl]piperidine-4-carboxamide;N-(2-methoxyethyl)-2-oxo-1,3-oxazolidine-3-sulfonamide is CCc1ccc(CCNC(=O)C2(Cc3ccccc3)CCN(S(=O)(=O)NCCOC)CC2)cc1.CCc1ccc(CCNC(=O)C2(Cc3ccccc3)CCNCC2)cc1.COCCNS(=O)(=O)N1CCOC1=O.
What is the InChIKey of 4-benzyl-N-[2-(4-ethylphenyl)ethyl]-1-(2-methoxyethylsulfamoyl)piperidine-4-carboxamide;4-benzyl-N-[2-(4-ethylphenyl)ethyl]piperidine-4-carboxamide;N-(2-methoxyethyl)-2-oxo-1,3-oxazolidine-3-sulfonamide?
The InChIKey is ITVZAWCMTOTDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O4S.C23H30N2O.C6H12N2O5S/c1-3-22-9-11-23(12-10-22)13-16-27-25(30)26(21-24-7-5-4-6-8-24)14-18-29(19-15-26)34(31,32)28-17-20-33-2;1-2-19-8-10-20(11-9-19)12-15-25-22(26)23(13-16-24-17-14-23)18-21-6-4-3-5-7-21;1-12-4-2-7-14(10,11)8-3-5-13-6(8)9/h4-12,28H,3,13-21H2,1-2H3,(H,27,30);3-11,24H,2,12-18H2,1H3,(H,25,26);7H,2-5H2,1H3.
What are the key properties of 4-benzyl-N-[2-(4-ethylphenyl)ethyl]-1-(2-methoxyethylsulfamoyl)piperidine-4-carboxamide;4-benzyl-N-[2-(4-ethylphenyl)ethyl]piperidine-4-carboxamide;N-(2-methoxyethyl)-2-oxo-1,3-oxazolidine-3-sulfonamide?
4-benzyl-N-[2-(4-ethylphenyl)ethyl]-1-(2-methoxyethylsulfamoyl)piperidine-4-carboxamide;4-benzyl-N-[2-(4-ethylphenyl)ethyl]piperidine-4-carboxamide;N-(2-methoxyethyl)-2-oxo-1,3-oxazolidine-3-sulfonamide has a molecular weight of 1062.41 g/mol, XLogP of 5.15, 24 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-[2-(4-ethylphenyl)ethyl]-1-(2-methoxyethylsulfamoyl)piperidine-4-carboxamide;4-benzyl-N-[2-(4-ethylphenyl)ethyl]piperidine-4-carboxamide;N-(2-methoxyethyl)-2-oxo-1,3-oxazolidine-3-sulfonamide is sourced from PubChem (CID 158804163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).