N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-propylbenzenesulfonamide

C18H30N2O3S — CID 16887611

IUPACN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCC2CCN(CCOC)CC2)cc1
InChIInChI=1S/C18H30N2O3S/c1-3-4-16-5-7-18(8-6-16)24(21,22)19-15-17-9-11-20(12-10-17)13-14-23-2/h5-8,17,19H,3-4,9-15H2,1-2H3
InChIKeyUXULWUXLCQADDQ-UHFFFAOYSA-N
MW354.52 g/mol
LogP2.28
Rot. Bonds9

About N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-propylbenzenesulfonamide

N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-propylbenzenesulfonamide (PubChem CID 16887611) has the molecular formula C18H30N2O3S and a molecular weight of 354.52 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-propylbenzenesulfonamide
PubChem CID16887611
Molecular FormulaC18H30N2O3S
Molecular Weight354.52 g/mol
Exact Mass354.20
IUPAC NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCC2CCN(CCOC)CC2)cc1
InChIInChI=1S/C18H30N2O3S/c1-3-4-16-5-7-18(8-6-16)24(21,22)19-15-17-9-11-20(12-10-17)13-14-23-2/h5-8,17,19H,3-4,9-15H2,1-2H3
InChIKeyUXULWUXLCQADDQ-UHFFFAOYSA-N
XLogP2.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-propylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-tert-butyl-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]benzenesulfonamide
CID 131931555
4-propyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16888102
4-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3,5-dimethylbenzenesulfonamide
CID 16887649
4-ethyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887425
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(4-methylphenyl)methanesulfonamide
CID 16887671
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(4-methoxyphenyl)methanesulfonamide
CID 16887679
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 16887608
N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide
CID 131915211
N-(piperidin-3-ylmethyl)-4-propylbenzenesulfonamide
CID 61070409
N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1-(4-methylphenyl)methanesulfonamide
CID 131897813
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(3-methylphenyl)methanesulfonamide
CID 16887670
N-[(1-benzylpiperidin-4-yl)methyl]-4-propoxybenzenesulfonamide
CID 16887822

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-propylbenzenesulfonamide?
The IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-propylbenzenesulfonamide (CID 16887611) is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-propylbenzenesulfonamide.
What is the SMILES notation for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-propylbenzenesulfonamide?
The canonical SMILES for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)NCC2CCN(CCOC)CC2)cc1.
What is the InChIKey of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-propylbenzenesulfonamide?
The InChIKey is UXULWUXLCQADDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3S/c1-3-4-16-5-7-18(8-6-16)24(21,22)19-15-17-9-11-20(12-10-17)13-14-23-2/h5-8,17,19H,3-4,9-15H2,1-2H3.
What are the key properties of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-propylbenzenesulfonamide?
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-propylbenzenesulfonamide has a molecular weight of 354.52 g/mol, XLogP of 2.28, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-propylbenzenesulfonamide is sourced from PubChem (CID 16887611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).