N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-4-methylsulfonylbenzamide

C20H23NO5S — CID 166192418

IUPACN-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-4-methylsulfonylbenzamide
SMILESCc1ccc(NC(=O)c2ccc(S(C)(=O)=O)cc2)c(OCC2CCCO2)c1
InChIInChI=1S/C20H23NO5S/c1-14-5-10-18(19(12-14)26-13-16-4-3-11-25-16)21-20(22)15-6-8-17(9-7-15)27(2,23)24/h5-10,12,16H,3-4,11,13H2,1-2H3,(H,21,22)
InChIKeyUWLMGYILMCYGGL-UHFFFAOYSA-N
MW389.47 g/mol
LogP3.21
Rot. Bonds6

About N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-4-methylsulfonylbenzamide

N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-4-methylsulfonylbenzamide (PubChem CID 166192418) has the molecular formula C20H23NO5S and a molecular weight of 389.47 g/mol. Its IUPAC name is N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-4-methylsulfonylbenzamide
PubChem CID166192418
Molecular FormulaC20H23NO5S
Molecular Weight389.47 g/mol
Exact Mass389.13
IUPAC NameN-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-4-methylsulfonylbenzamide
SMILESCc1ccc(NC(=O)c2ccc(S(C)(=O)=O)cc2)c(OCC2CCCO2)c1
InChIInChI=1S/C20H23NO5S/c1-14-5-10-18(19(12-14)26-13-16-4-3-11-25-16)21-20(22)15-6-8-17(9-7-15)27(2,23)24/h5-10,12,16H,3-4,11,13H2,1-2H3,(H,21,22)
InChIKeyUWLMGYILMCYGGL-UHFFFAOYSA-N
XLogP3.21
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 119300251
6-methyl-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]pyridine-3-carboxamide
CID 60574803
4-methyl-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386200
4-amino-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-3-nitrobenzamide
CID 60574876
5-[[4-methyl-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]furan-2-carboxylic acid
CID 129466833
4-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119182039
3-methyl-N-[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]butanamide
CID 94621924
N-[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-5-nitrofuran-2-carboxamide
CID 94646470
1-methyl-3-[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 95259007
2-ethyl-5-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]furan-3-carboxylic acid
CID 120821321
N-(2,4-dimethylphenyl)-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 1428381
7-amino-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]heptanamide
CID 119743232

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-4-methylsulfonylbenzamide?
The IUPAC name of N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-4-methylsulfonylbenzamide (CID 166192418) is N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-4-methylsulfonylbenzamide.
What is the SMILES notation for N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-4-methylsulfonylbenzamide?
The canonical SMILES for N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-4-methylsulfonylbenzamide is Cc1ccc(NC(=O)c2ccc(S(C)(=O)=O)cc2)c(OCC2CCCO2)c1.
What is the InChIKey of N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-4-methylsulfonylbenzamide?
The InChIKey is UWLMGYILMCYGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5S/c1-14-5-10-18(19(12-14)26-13-16-4-3-11-25-16)21-20(22)15-6-8-17(9-7-15)27(2,23)24/h5-10,12,16H,3-4,11,13H2,1-2H3,(H,21,22).
What are the key properties of N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-4-methylsulfonylbenzamide?
N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-4-methylsulfonylbenzamide has a molecular weight of 389.47 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-4-methylsulfonylbenzamide is sourced from PubChem (CID 166192418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).