2-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-phenylacetamide

C14H20N2O4S — CID 113149672

IUPAC2-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-phenylacetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccccc1)CC1CCCO1
InChIInChI=1S/C14H20N2O4S/c1-21(18,19)16(10-13-8-5-9-20-13)11-14(17)15-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3,(H,15,17)
InChIKeyJTFPOSBIIWOWRJ-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.07
Rot. Bonds6

About 2-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-phenylacetamide

2-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-phenylacetamide (PubChem CID 113149672) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-phenylacetamide
PubChem CID113149672
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name2-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-phenylacetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccccc1)CC1CCCO1
InChIInChI=1S/C14H20N2O4S/c1-21(18,19)16(10-13-8-5-9-20-13)11-14(17)15-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3,(H,15,17)
InChIKeyJTFPOSBIIWOWRJ-UHFFFAOYSA-N
XLogP1.07
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149708
N-(3-methylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149674
N-(4-ethylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149685
N-(3,5-dimethylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149682
N-benzyl-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149615
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149739
2-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-propan-2-ylacetamide
CID 113149591
2-[benzyl(oxolan-2-ylmethyl)amino]-N-phenylacetamide
CID 60514317
N-benzyl-N-methyl-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149620
N-(3,4-dimethylphenyl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide
CID 113138003
2-[methylsulfonyl(2-phenylethyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 963775
2-[(1,1-dioxothiolan-3-yl)-(oxolan-2-ylmethyl)amino]-N-phenylacetamide
CID 164663511

Frequently Asked Questions

What is the IUPAC name of 2-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-phenylacetamide?
The IUPAC name of 2-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-phenylacetamide (CID 113149672) is 2-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-phenylacetamide.
What is the SMILES notation for 2-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-phenylacetamide?
The canonical SMILES for 2-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-phenylacetamide is CS(=O)(=O)N(CC(=O)Nc1ccccc1)CC1CCCO1.
What is the InChIKey of 2-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-phenylacetamide?
The InChIKey is JTFPOSBIIWOWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-21(18,19)16(10-13-8-5-9-20-13)11-14(17)15-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3,(H,15,17).
What are the key properties of 2-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-phenylacetamide?
2-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-phenylacetamide has a molecular weight of 312.39 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-phenylacetamide is sourced from PubChem (CID 113149672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).