N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-1-propylsulfonylpiperidine-2-carboxamide

C21H35N3O5S2 — CID 55966262

IUPACN-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-1-propylsulfonylpiperidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCCC1C(=O)NC(C)c1ccc(S(=O)(=O)N(CC)CC)cc1
InChIInChI=1S/C21H35N3O5S2/c1-5-16-30(26,27)24-15-9-8-10-20(24)21(25)22-17(4)18-11-13-19(14-12-18)31(28,29)23(6-2)7-3/h11-14,17,20H,5-10,15-16H2,1-4H3,(H,22,25)
InChIKeyCUFGEPBAFZPJCL-UHFFFAOYSA-N
MW473.66 g/mol
LogP2.49
Rot. Bonds10

About N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-1-propylsulfonylpiperidine-2-carboxamide

N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-1-propylsulfonylpiperidine-2-carboxamide (PubChem CID 55966262) has the molecular formula C21H35N3O5S2 and a molecular weight of 473.66 g/mol. Its IUPAC name is N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-1-propylsulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-1-propylsulfonylpiperidine-2-carboxamide
PubChem CID55966262
Molecular FormulaC21H35N3O5S2
Molecular Weight473.66 g/mol
Exact Mass473.20
IUPAC NameN-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-1-propylsulfonylpiperidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCCC1C(=O)NC(C)c1ccc(S(=O)(=O)N(CC)CC)cc1
InChIInChI=1S/C21H35N3O5S2/c1-5-16-30(26,27)24-15-9-8-10-20(24)21(25)22-17(4)18-11-13-19(14-12-18)31(28,29)23(6-2)7-3/h11-14,17,20H,5-10,15-16H2,1-4H3,(H,22,25)
InChIKeyCUFGEPBAFZPJCL-UHFFFAOYSA-N
XLogP2.49
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.66
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[(1R)-1-(4-phenylphenyl)ethyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 98598919
3-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119686806
N-[1-(5-methylfuran-2-yl)ethyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51241405
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 119527255
(2R)-N-cyclopentyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanamide
CID 8650158
(2S)-N-cyclopentyl-2-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanamide
CID 8650109
N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxamide
CID 43062096
1-(benzenesulfonyl)-N-(1-phenylethyl)piperidine-2-carboxamide
CID 17414721
N,N-diethyl-4-[(1R)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]benzenesulfonamide
CID 8649700
(2S)-N-cyclohexyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanamide
CID 8650061
4-[(1S)-1-[[2-(azepan-1-yl)-2-oxoethyl]amino]ethyl]-N,N-diethylbenzenesulfonamide
CID 8643973
(2R,3S)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-methylmorpholine-3-carboxamide
CID 120919058

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-1-propylsulfonylpiperidine-2-carboxamide?
The IUPAC name of N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-1-propylsulfonylpiperidine-2-carboxamide (CID 55966262) is N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-1-propylsulfonylpiperidine-2-carboxamide.
What is the SMILES notation for N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-1-propylsulfonylpiperidine-2-carboxamide?
The canonical SMILES for N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-1-propylsulfonylpiperidine-2-carboxamide is CCCS(=O)(=O)N1CCCCC1C(=O)NC(C)c1ccc(S(=O)(=O)N(CC)CC)cc1.
What is the InChIKey of N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-1-propylsulfonylpiperidine-2-carboxamide?
The InChIKey is CUFGEPBAFZPJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O5S2/c1-5-16-30(26,27)24-15-9-8-10-20(24)21(25)22-17(4)18-11-13-19(14-12-18)31(28,29)23(6-2)7-3/h11-14,17,20H,5-10,15-16H2,1-4H3,(H,22,25).
What are the key properties of N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-1-propylsulfonylpiperidine-2-carboxamide?
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-1-propylsulfonylpiperidine-2-carboxamide has a molecular weight of 473.66 g/mol, XLogP of 2.49, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-1-propylsulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 55966262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).