N-(4-ethylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide

C16H24N2O4S — CID 113149685

IUPACN-(4-ethylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
SMILESCCc1ccc(NC(=O)CN(CC2CCCO2)S(C)(=O)=O)cc1
InChIInChI=1S/C16H24N2O4S/c1-3-13-6-8-14(9-7-13)17-16(19)12-18(23(2,20)21)11-15-5-4-10-22-15/h6-9,15H,3-5,10-12H2,1-2H3,(H,17,19)
InChIKeyBJBQUEXOCFSCEL-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.63
Rot. Bonds7

About N-(4-ethylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide

N-(4-ethylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide (PubChem CID 113149685) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
PubChem CID113149685
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC NameN-(4-ethylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
SMILESCCc1ccc(NC(=O)CN(CC2CCCO2)S(C)(=O)=O)cc1
InChIInChI=1S/C16H24N2O4S/c1-3-13-6-8-14(9-7-13)17-16(19)12-18(23(2,20)21)11-15-5-4-10-22-15/h6-9,15H,3-5,10-12H2,1-2H3,(H,17,19)
InChIKeyBJBQUEXOCFSCEL-UHFFFAOYSA-N
XLogP1.63
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-ethylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromophenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149708
2-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-phenylacetamide
CID 113149672
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149739
N-(3,5-dimethylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149682
N-(3-methylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149674
N-(4-ethylphenyl)-2-(oxolan-2-yl)acetamide
CID 110696629
N-benzyl-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149615
2-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-propan-2-ylacetamide
CID 113149591
N-(4-ethylphenyl)-2-[methylsulfonyl(propyl)amino]acetamide
CID 113147556
N-(3,4-dimethylphenyl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide
CID 113138003
N-[2-(4-methoxyphenyl)ethyl]-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149638
N-(4-ethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide
CID 109016072

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide?
The IUPAC name of N-(4-ethylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide (CID 113149685) is N-(4-ethylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide is CCc1ccc(NC(=O)CN(CC2CCCO2)S(C)(=O)=O)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide?
The InChIKey is BJBQUEXOCFSCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-3-13-6-8-14(9-7-13)17-16(19)12-18(23(2,20)21)11-15-5-4-10-22-15/h6-9,15H,3-5,10-12H2,1-2H3,(H,17,19).
What are the key properties of N-(4-ethylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide?
N-(4-ethylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide has a molecular weight of 340.45 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 113149685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).