N,N-diethyl-4-morpholin-4-yl-3-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide

C26H35N3O4S — CID 55549228

IUPACN,N-diethyl-4-morpholin-4-yl-3-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CCC(c3ccccc3)CC2)c1
InChIInChI=1S/C26H35N3O4S/c1-3-29(4-2)34(31,32)23-10-11-25(27-16-18-33-19-17-27)24(20-23)26(30)28-14-12-22(13-15-28)21-8-6-5-7-9-21/h5-11,20,22H,3-4,12-19H2,1-2H3
InChIKeyGAVYXERXODMWHQ-UHFFFAOYSA-N
MW485.65 g/mol
LogP3.57
Rot. Bonds7

About N,N-diethyl-4-morpholin-4-yl-3-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide

N,N-diethyl-4-morpholin-4-yl-3-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide (PubChem CID 55549228) has the molecular formula C26H35N3O4S and a molecular weight of 485.65 g/mol. Its IUPAC name is N,N-diethyl-4-morpholin-4-yl-3-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-morpholin-4-yl-3-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide
PubChem CID55549228
Molecular FormulaC26H35N3O4S
Molecular Weight485.65 g/mol
Exact Mass485.23
IUPAC NameN,N-diethyl-4-morpholin-4-yl-3-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CCC(c3ccccc3)CC2)c1
InChIInChI=1S/C26H35N3O4S/c1-3-29(4-2)34(31,32)23-10-11-25(27-16-18-33-19-17-27)24(20-23)26(30)28-14-12-22(13-15-28)21-8-6-5-7-9-21/h5-11,20,22H,3-4,12-19H2,1-2H3
InChIKeyGAVYXERXODMWHQ-UHFFFAOYSA-N
XLogP3.57
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.65
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-3-(4-phenylpiperazine-1-carbonyl)-4-pyrrolidin-1-ylbenzenesulfonamide
CID 29198849
N,N-diethyl-3-(4-methoxypiperidine-1-carbonyl)-4-pyrrolidin-1-ylbenzenesulfonamide
CID 55480216
3-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-N,N-dimethyl-4-morpholin-4-ylbenzenesulfonamide
CID 55527467
3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-N,N-diethyl-4-pyrrolidin-1-ylbenzenesulfonamide
CID 55564764
N-cyclohexyl-5-(diethylsulfamoyl)-N-methyl-2-morpholin-4-ylbenzamide
CID 30929978
N,N-dimethyl-4-morpholin-4-yl-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 35900064
oxan-2-ylmethyl 5-(diethylsulfamoyl)-2-morpholin-4-ylbenzoate
CID 55358452
N,N-dimethyl-4-morpholin-4-yl-3-(piperazine-1-carbonyl)benzenesulfonamide;hydrochloride
CID 119400713
5-[cyclopropyl(methyl)sulfamoyl]-2-morpholin-4-ylbenzoic acid
CID 68839577
N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-morpholin-4-ylbenzamide;hydrochloride
CID 119383889
5-(diethylsulfamoyl)-N-methyl-N-(4-methylpentan-2-yl)-2-morpholin-4-ylbenzamide
CID 55591057
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-phenylprop-2-enamide
CID 4797773

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-morpholin-4-yl-3-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N,N-diethyl-4-morpholin-4-yl-3-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide (CID 55549228) is N,N-diethyl-4-morpholin-4-yl-3-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-morpholin-4-yl-3-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-morpholin-4-yl-3-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CCC(c3ccccc3)CC2)c1.
What is the InChIKey of N,N-diethyl-4-morpholin-4-yl-3-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is GAVYXERXODMWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O4S/c1-3-29(4-2)34(31,32)23-10-11-25(27-16-18-33-19-17-27)24(20-23)26(30)28-14-12-22(13-15-28)21-8-6-5-7-9-21/h5-11,20,22H,3-4,12-19H2,1-2H3.
What are the key properties of N,N-diethyl-4-morpholin-4-yl-3-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide?
N,N-diethyl-4-morpholin-4-yl-3-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 485.65 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-morpholin-4-yl-3-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 55549228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).