2-(4-methoxyphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]ethanesulfonamide

C20H28N2O3S2 — CID 16888343

IUPAC2-(4-methoxyphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]ethanesulfonamide
SMILESCOc1ccc(CCS(=O)(=O)NCC2CCN(Cc3cccs3)CC2)cc1
InChIInChI=1S/C20H28N2O3S2/c1-25-19-6-4-17(5-7-19)10-14-27(23,24)21-15-18-8-11-22(12-9-18)16-20-3-2-13-26-20/h2-7,13,18,21H,8-12,14-16H2,1H3
InChIKeyWSYCNCNKXRWBFK-UHFFFAOYSA-N
MW408.59 g/mol
LogP3.13
Rot. Bonds9

About 2-(4-methoxyphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]ethanesulfonamide

2-(4-methoxyphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]ethanesulfonamide (PubChem CID 16888343) has the molecular formula C20H28N2O3S2 and a molecular weight of 408.59 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]ethanesulfonamide
PubChem CID16888343
Molecular FormulaC20H28N2O3S2
Molecular Weight408.59 g/mol
Exact Mass408.15
IUPAC Name2-(4-methoxyphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]ethanesulfonamide
SMILESCOc1ccc(CCS(=O)(=O)NCC2CCN(Cc3cccs3)CC2)cc1
InChIInChI=1S/C20H28N2O3S2/c1-25-19-6-4-17(5-7-19)10-14-27(23,24)21-15-18-8-11-22(12-9-18)16-20-3-2-13-26-20/h2-7,13,18,21H,8-12,14-16H2,1H3
InChIKeyWSYCNCNKXRWBFK-UHFFFAOYSA-N
XLogP3.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

AL5927
CID 4316
N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 4782345
[(4-Methoxyphenyl)methyl][1-(thiophen-2-yl)propan-2-yl]amine
CID 4868415
2-Methoxy-5-methyl-N-thiophen-2-ylmethyl-benzenesulfonamide
CID 6458154
5-ethyl-2-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 9267842
N-(2-methoxybenzyl)-1-(thiophen-2-ylsulfonyl)piperidine-3-carboxamide
CID 18104644
N-[2-(4-methoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 769090
2-(4-Methoxyphenyl)-1,3-thiazolan-3-yl phenyl sulfone
CID 2859306
N-[2-(4-methoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4784924
N1-(4-methoxyphenethyl)-N2-(2-(phenylsulfonyl)-2-(thiophen-2-yl)ethyl)oxalamide
CID 16032062
4-methoxy-N-[[1-[(3-methyl-2-thiophenyl)-oxomethyl]-3-piperidinyl]methyl]benzenesulfonamide
CID 16189508
N-[[4-[4-(butylaminomethyl)phenyl]thiophen-2-yl]methyl]-N-cyclopentyl-4-methoxybenzenesulfonamide
CID 53316699

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]ethanesulfonamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]ethanesulfonamide (CID 16888343) is 2-(4-methoxyphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]ethanesulfonamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]ethanesulfonamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]ethanesulfonamide is COc1ccc(CCS(=O)(=O)NCC2CCN(Cc3cccs3)CC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]ethanesulfonamide?
The InChIKey is WSYCNCNKXRWBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3S2/c1-25-19-6-4-17(5-7-19)10-14-27(23,24)21-15-18-8-11-22(12-9-18)16-20-3-2-13-26-20/h2-7,13,18,21H,8-12,14-16H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]ethanesulfonamide?
2-(4-methoxyphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]ethanesulfonamide has a molecular weight of 408.59 g/mol, XLogP of 3.13, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]ethanesulfonamide is sourced from PubChem (CID 16888343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).