N-(1-cyclopropylpiperidin-4-yl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide

C18H28N2O4S — CID 55639325

IUPACN-(1-cyclopropylpiperidin-4-yl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)NC2CCN(C3CC3)CC2)cc1C
InChIInChI=1S/C18H28N2O4S/c1-14-13-17(5-6-18(14)24-12-11-23-2)25(21,22)19-15-7-9-20(10-8-15)16-3-4-16/h5-6,13,15-16,19H,3-4,7-12H2,1-2H3
InChIKeyFABCRFWZHLIOHW-UHFFFAOYSA-N
MW368.50 g/mol
LogP1.93
Rot. Bonds8

About N-(1-cyclopropylpiperidin-4-yl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide

N-(1-cyclopropylpiperidin-4-yl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide (PubChem CID 55639325) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-(1-cyclopropylpiperidin-4-yl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-cyclopropylpiperidin-4-yl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide
PubChem CID55639325
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC NameN-(1-cyclopropylpiperidin-4-yl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)NC2CCN(C3CC3)CC2)cc1C
InChIInChI=1S/C18H28N2O4S/c1-14-13-17(5-6-18(14)24-12-11-23-2)25(21,22)19-15-7-9-20(10-8-15)16-3-4-16/h5-6,13,15-16,19H,3-4,7-12H2,1-2H3
InChIKeyFABCRFWZHLIOHW-UHFFFAOYSA-N
XLogP1.93
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cycloheptyl-3-methyl-4-propoxybenzenesulfonamide
CID 35202091
N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-3,4-dimethylbenzenesulfonamide
CID 108564246
3-methyl-4-propoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
CID 90597538
4-(2-methoxyethoxy)-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 46457688
2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-cyclopropylacetamide
CID 3634459
N-(1-cyclopropylpiperidin-4-yl)-2,5-dimethoxybenzenesulfonamide
CID 18141546
3,4-dimethoxy-N-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
CID 134148037
N-(1-cyclopropylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 17455064
N-(3-bromo-4-methylphenyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide
CID 55638935
4-ethoxy-3-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545155
N-[1-(1,3-dimethyl-2,4-dioxo-5H-pyrimidin-1-ium-5-yl)piperidin-4-yl]-4-methoxy-3-methylbenzenesulfonamide
CID 167996904
N-(1-cyclopropylpiperidin-4-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 61273889

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpiperidin-4-yl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide?
The IUPAC name of N-(1-cyclopropylpiperidin-4-yl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide (CID 55639325) is N-(1-cyclopropylpiperidin-4-yl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-cyclopropylpiperidin-4-yl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide?
The canonical SMILES for N-(1-cyclopropylpiperidin-4-yl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide is COCCOc1ccc(S(=O)(=O)NC2CCN(C3CC3)CC2)cc1C.
What is the InChIKey of N-(1-cyclopropylpiperidin-4-yl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide?
The InChIKey is FABCRFWZHLIOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-14-13-17(5-6-18(14)24-12-11-23-2)25(21,22)19-15-7-9-20(10-8-15)16-3-4-16/h5-6,13,15-16,19H,3-4,7-12H2,1-2H3.
What are the key properties of N-(1-cyclopropylpiperidin-4-yl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide?
N-(1-cyclopropylpiperidin-4-yl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide has a molecular weight of 368.50 g/mol, XLogP of 1.93, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpiperidin-4-yl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide is sourced from PubChem (CID 55639325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).