2-(4-methoxyphenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]ethanesulfonamide

C15H23NO4S2 — CID 97414730

IUPAC2-(4-methoxyphenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]ethanesulfonamide
SMILESCOc1ccc(CCS(=O)(=O)NC[C@@]2(OC)CCSC2)cc1
InChIInChI=1S/C15H23NO4S2/c1-19-14-5-3-13(4-6-14)7-10-22(17,18)16-11-15(20-2)8-9-21-12-15/h3-6,16H,7-12H2,1-2H3/t15-/m0/s1
InChIKeyLGEOAVBWTSPBNW-HNNXBMFYSA-N
MW345.49 g/mol
LogP1.68
Rot. Bonds8

About 2-(4-methoxyphenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]ethanesulfonamide

2-(4-methoxyphenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]ethanesulfonamide (PubChem CID 97414730) has the molecular formula C15H23NO4S2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]ethanesulfonamide
PubChem CID97414730
Molecular FormulaC15H23NO4S2
Molecular Weight345.49 g/mol
Exact Mass345.11
IUPAC Name2-(4-methoxyphenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]ethanesulfonamide
SMILESCOc1ccc(CCS(=O)(=O)NC[C@@]2(OC)CCSC2)cc1
InChIInChI=1S/C15H23NO4S2/c1-19-14-5-3-13(4-6-14)7-10-22(17,18)16-11-15(20-2)8-9-21-12-15/h3-6,16H,7-12H2,1-2H3/t15-/m0/s1
InChIKeyLGEOAVBWTSPBNW-HNNXBMFYSA-N
XLogP1.68
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenoxy)-N-[(3-methoxythiolan-3-yl)methyl]acetamide
CID 90584294
5-ethyl-N-[[(3S)-3-methoxythiolan-3-yl]methyl]thiophene-2-sulfonamide
CID 97414702
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-(4-methoxyphenyl)ethanesulfonamide
CID 71803616
4-tert-butyl-N-[(3-methoxythiolan-3-yl)methyl]benzenesulfonamide
CID 90584402
3-chloro-4-methoxy-N-[[(3S)-3-methoxythiolan-3-yl]methyl]benzenesulfonamide
CID 97414736
5-fluoro-2-methoxy-N-[(3-methoxythiolan-3-yl)methyl]benzenesulfonamide
CID 90584395
methyl N-[4-[(3-methoxythiolan-3-yl)methylsulfamoyl]phenyl]carbamate
CID 72717990
N-[(6-hydroxy-1,4-dithiepan-6-yl)methyl]-2-phenylethanesulfonamide
CID 146080431
N-[(1-hydroxycyclopentyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110626462
2-(4-fluorophenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]acetamide
CID 97414577
1-[(4-fluorophenyl)methyl]-3-[(3-methoxythiolan-3-yl)methyl]urea
CID 90584515
2-(4-methoxyphenoxy)-N-[2-(4-methoxyphenyl)ethyl]ethanesulfonamide
CID 90518395

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]ethanesulfonamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]ethanesulfonamide (CID 97414730) is 2-(4-methoxyphenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]ethanesulfonamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]ethanesulfonamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]ethanesulfonamide is COc1ccc(CCS(=O)(=O)NC[C@@]2(OC)CCSC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]ethanesulfonamide?
The InChIKey is LGEOAVBWTSPBNW-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H23NO4S2/c1-19-14-5-3-13(4-6-14)7-10-22(17,18)16-11-15(20-2)8-9-21-12-15/h3-6,16H,7-12H2,1-2H3/t15-/m0/s1.
What are the key properties of 2-(4-methoxyphenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]ethanesulfonamide?
2-(4-methoxyphenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]ethanesulfonamide has a molecular weight of 345.49 g/mol, XLogP of 1.68, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]ethanesulfonamide is sourced from PubChem (CID 97414730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).