N-ethyl-2-methylsulfonyl-N-(oxolan-3-ylmethyl)benzamide

C15H21NO4S — CID 51082616

IUPACN-ethyl-2-methylsulfonyl-N-(oxolan-3-ylmethyl)benzamide
SMILESCCN(CC1CCOC1)C(=O)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C15H21NO4S/c1-3-16(10-12-8-9-20-11-12)15(17)13-6-4-5-7-14(13)21(2,18)19/h4-7,12H,3,8-11H2,1-2H3
InChIKeyOPFKIBQSXXGWCT-UHFFFAOYSA-N
MW311.40 g/mol
LogP1.59
Rot. Bonds5

About N-ethyl-2-methylsulfonyl-N-(oxolan-3-ylmethyl)benzamide

N-ethyl-2-methylsulfonyl-N-(oxolan-3-ylmethyl)benzamide (PubChem CID 51082616) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is N-ethyl-2-methylsulfonyl-N-(oxolan-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-ethyl-2-methylsulfonyl-N-(oxolan-3-ylmethyl)benzamide
PubChem CID51082616
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC NameN-ethyl-2-methylsulfonyl-N-(oxolan-3-ylmethyl)benzamide
SMILESCCN(CC1CCOC1)C(=O)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C15H21NO4S/c1-3-16(10-12-8-9-20-11-12)15(17)13-6-4-5-7-14(13)21(2,18)19/h4-7,12H,3,8-11H2,1-2H3
InChIKeyOPFKIBQSXXGWCT-UHFFFAOYSA-N
XLogP1.59
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methylsulfonyl-N-(oxolan-3-ylmethyl)benzamide?
The IUPAC name of N-ethyl-2-methylsulfonyl-N-(oxolan-3-ylmethyl)benzamide (CID 51082616) is N-ethyl-2-methylsulfonyl-N-(oxolan-3-ylmethyl)benzamide.
What is the SMILES notation for N-ethyl-2-methylsulfonyl-N-(oxolan-3-ylmethyl)benzamide?
The canonical SMILES for N-ethyl-2-methylsulfonyl-N-(oxolan-3-ylmethyl)benzamide is CCN(CC1CCOC1)C(=O)c1ccccc1S(C)(=O)=O.
What is the InChIKey of N-ethyl-2-methylsulfonyl-N-(oxolan-3-ylmethyl)benzamide?
The InChIKey is OPFKIBQSXXGWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-3-16(10-12-8-9-20-11-12)15(17)13-6-4-5-7-14(13)21(2,18)19/h4-7,12H,3,8-11H2,1-2H3.
What are the key properties of N-ethyl-2-methylsulfonyl-N-(oxolan-3-ylmethyl)benzamide?
N-ethyl-2-methylsulfonyl-N-(oxolan-3-ylmethyl)benzamide has a molecular weight of 311.40 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methylsulfonyl-N-(oxolan-3-ylmethyl)benzamide is sourced from PubChem (CID 51082616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).