N,N-diethyl-5-(4-methoxypiperidine-1-carbonyl)-2-methylbenzenesulfonamide

C18H28N2O4S — CID 55480785

IUPACN,N-diethyl-5-(4-methoxypiperidine-1-carbonyl)-2-methylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N2CCC(OC)CC2)ccc1C
InChIInChI=1S/C18H28N2O4S/c1-5-20(6-2)25(22,23)17-13-15(8-7-14(17)3)18(21)19-11-9-16(24-4)10-12-19/h7-8,13,16H,5-6,9-12H2,1-4H3
InChIKeyMNBXAJAPMCMAAR-UHFFFAOYSA-N
MW368.50 g/mol
LogP2.28
Rot. Bonds6

About N,N-diethyl-5-(4-methoxypiperidine-1-carbonyl)-2-methylbenzenesulfonamide

N,N-diethyl-5-(4-methoxypiperidine-1-carbonyl)-2-methylbenzenesulfonamide (PubChem CID 55480785) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is N,N-diethyl-5-(4-methoxypiperidine-1-carbonyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-5-(4-methoxypiperidine-1-carbonyl)-2-methylbenzenesulfonamide
PubChem CID55480785
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC NameN,N-diethyl-5-(4-methoxypiperidine-1-carbonyl)-2-methylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N2CCC(OC)CC2)ccc1C
InChIInChI=1S/C18H28N2O4S/c1-5-20(6-2)25(22,23)17-13-15(8-7-14(17)3)18(21)19-11-9-16(24-4)10-12-19/h7-8,13,16H,5-6,9-12H2,1-4H3
InChIKeyMNBXAJAPMCMAAR-UHFFFAOYSA-N
XLogP2.28
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-methyl-5-[4-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 119563375
N,N-diethyl-2-methyl-5-[4-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119546294
5-[4-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethyl-2-methylbenzenesulfonamide
CID 119520286
5-[(3R)-3-aminopyrrolidine-1-carbonyl]-N,N-diethyl-2-methylbenzenesulfonamide;hydrochloride
CID 119412837
N,N-diethyl-2-methyl-5-(9-methyl-6-azaspiro[3.5]nonane-6-carbonyl)benzenesulfonamide
CID 75440741
N,N-diethyl-5-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-2-methylbenzenesulfonamide
CID 55849954
1-[3-(diethylsulfamoyl)-4-methylbenzoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55951754
(3-amino-4-methylphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 43372645
N,N-diethyl-2-methyl-5-(2-phenylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 55495250
ethyl 4-[3-(dimethylsulfamoyl)-4-methylbenzoyl]piperazine-1-carboxylate
CID 110295888
(4-bromo-3-methylphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 112705709
(3,4-dimethylphenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90616508

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-(4-methoxypiperidine-1-carbonyl)-2-methylbenzenesulfonamide?
The IUPAC name of N,N-diethyl-5-(4-methoxypiperidine-1-carbonyl)-2-methylbenzenesulfonamide (CID 55480785) is N,N-diethyl-5-(4-methoxypiperidine-1-carbonyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for N,N-diethyl-5-(4-methoxypiperidine-1-carbonyl)-2-methylbenzenesulfonamide?
The canonical SMILES for N,N-diethyl-5-(4-methoxypiperidine-1-carbonyl)-2-methylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCC(OC)CC2)ccc1C.
What is the InChIKey of N,N-diethyl-5-(4-methoxypiperidine-1-carbonyl)-2-methylbenzenesulfonamide?
The InChIKey is MNBXAJAPMCMAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-5-20(6-2)25(22,23)17-13-15(8-7-14(17)3)18(21)19-11-9-16(24-4)10-12-19/h7-8,13,16H,5-6,9-12H2,1-4H3.
What are the key properties of N,N-diethyl-5-(4-methoxypiperidine-1-carbonyl)-2-methylbenzenesulfonamide?
N,N-diethyl-5-(4-methoxypiperidine-1-carbonyl)-2-methylbenzenesulfonamide has a molecular weight of 368.50 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-(4-methoxypiperidine-1-carbonyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 55480785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).