4-methoxy-3,5-dimethyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide

C19H25NO4S2 — CID 112823045

IUPAC4-methoxy-3,5-dimethyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCOc1c(C)cc(S(=O)(=O)N(Cc2cccs2)CC2CCCO2)cc1C
InChIInChI=1S/C19H25NO4S2/c1-14-10-18(11-15(2)19(14)23-3)26(21,22)20(12-16-6-4-8-24-16)13-17-7-5-9-25-17/h5,7,9-11,16H,4,6,8,12-13H2,1-3H3
InChIKeyMTYFCXSRDPSRLZ-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.74
Rot. Bonds7

About 4-methoxy-3,5-dimethyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide

4-methoxy-3,5-dimethyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 112823045) has the molecular formula C19H25NO4S2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 4-methoxy-3,5-dimethyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3,5-dimethyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID112823045
Molecular FormulaC19H25NO4S2
Molecular Weight395.55 g/mol
Exact Mass395.12
IUPAC Name4-methoxy-3,5-dimethyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCOc1c(C)cc(S(=O)(=O)N(Cc2cccs2)CC2CCCO2)cc1C
InChIInChI=1S/C19H25NO4S2/c1-14-10-18(11-15(2)19(14)23-3)26(21,22)20(12-16-6-4-8-24-16)13-17-7-5-9-25-17/h5,7,9-11,16H,4,6,8,12-13H2,1-3H3
InChIKeyMTYFCXSRDPSRLZ-UHFFFAOYSA-N
XLogP3.74
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 39982805
3-fluoro-4-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 46458741
1-N-cyclohexyl-1-N-methyl-4-N-[[(2S)-oxolan-2-yl]methyl]-4-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide
CID 6551564
4-ethyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 55386619
2-bromo-4,5-dimethoxy-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 17429230
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 60681211
4-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)sulfamoyl]benzoate
CID 6971383
4-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)sulfamoyl]benzoic acid
CID 1154153
2-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)chromene-6-sulfonamide
CID 39982795
6-methoxy-3-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)-4H-1,4-benzoxazine-7-sulfonamide
CID 100648971
N-[(2-methoxyphenyl)methyl]-3,4-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 51725760
5-chloro-1-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)imidazole-4-sulfonamide
CID 42955157

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3,5-dimethyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-3,5-dimethyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 112823045) is 4-methoxy-3,5-dimethyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3,5-dimethyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-3,5-dimethyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide is COc1c(C)cc(S(=O)(=O)N(Cc2cccs2)CC2CCCO2)cc1C.
What is the InChIKey of 4-methoxy-3,5-dimethyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is MTYFCXSRDPSRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4S2/c1-14-10-18(11-15(2)19(14)23-3)26(21,22)20(12-16-6-4-8-24-16)13-17-7-5-9-25-17/h5,7,9-11,16H,4,6,8,12-13H2,1-3H3.
What are the key properties of 4-methoxy-3,5-dimethyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
4-methoxy-3,5-dimethyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 395.55 g/mol, XLogP of 3.74, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3,5-dimethyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 112823045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).