4-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide

C17H21NO3S2 — CID 17412522

IUPAC4-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2cccs2)CC2CCCO2)cc1
InChIInChI=1S/C17H21NO3S2/c1-14-6-8-17(9-7-14)23(19,20)18(12-15-4-2-10-21-15)13-16-5-3-11-22-16/h3,5-9,11,15H,2,4,10,12-13H2,1H3
InChIKeyXWAXOCRQNXXEHR-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.43
Rot. Bonds6

About 4-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide

4-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 17412522) has the molecular formula C17H21NO3S2 and a molecular weight of 351.49 g/mol. Its IUPAC name is 4-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID17412522
Molecular FormulaC17H21NO3S2
Molecular Weight351.49 g/mol
Exact Mass351.10
IUPAC Name4-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2cccs2)CC2CCCO2)cc1
InChIInChI=1S/C17H21NO3S2/c1-14-6-8-17(9-7-14)23(19,20)18(12-15-4-2-10-21-15)13-16-5-3-11-22-16/h3,5-9,11,15H,2,4,10,12-13H2,1H3
InChIKeyXWAXOCRQNXXEHR-UHFFFAOYSA-N
XLogP3.43
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(Morpholin-4-ylmethyl)phenyl]sulfonylthiophene-2-sulfonamide;hydrochloride
CID 20033682
4-(Piperidine-1-sulfonyl)-N-(tetrahydro-furan-2-ylmethyl)-N-thiophen-2-ylmethyl-benzenesulfonamide
CID 647891
N1-benzyl-N4-((tetrahydrofuran-2-yl)methyl)-N4-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide
CID 3189957
N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 49676637
1-(2,5-difluorophenyl)-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)methanesulfonamide
CID 71796685
N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-1-(4-(trifluoromethyl)phenyl)methanesulfonamide
CID 71796686
N-[[(2R,3S,4R)-3-hydroxy-4-(thiophen-2-ylmethylamino)oxolan-2-yl]methyl]-4-methylbenzenesulfonamide
CID 86769006
(2S,3R)-2-benzyl-3-methoxy-1-thiophen-2-ylsulfonylpyrrolidine
CID 97521243
4-(4-Morpholin-4-ylmethyl-benzenesulfonyl)-thiophene-2-sulfonic acid amide; hydrochloride
CID 10046686
1-N-cyclohexyl-1-N-methyl-4-N-(oxolan-2-ylmethyl)-4-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide
CID 3189877
N-[[4-(dimethylamino)phenyl]methyl]-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide
CID 16278360
4-[(4-Methyl-2-thienyl)sulfonyl]-2-(2-phenylethyl)morpholine
CID 45177603

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 17412522) is 4-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(Cc2cccs2)CC2CCCO2)cc1.
What is the InChIKey of 4-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is XWAXOCRQNXXEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S2/c1-14-6-8-17(9-7-14)23(19,20)18(12-15-4-2-10-21-15)13-16-5-3-11-22-16/h3,5-9,11,15H,2,4,10,12-13H2,1H3.
What are the key properties of 4-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
4-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 351.49 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 17412522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).