3-methylsulfonyl-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]propanamide

C14H18N2O5S — CID 110632601

IUPAC3-methylsulfonyl-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]propanamide
SMILESCS(=O)(=O)CCC(=O)NCC1CN(c2ccccc2)C(=O)O1
InChIInChI=1S/C14H18N2O5S/c1-22(19,20)8-7-13(17)15-9-12-10-16(14(18)21-12)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,15,17)
InChIKeyBVQASMOKOVOJCC-UHFFFAOYSA-N
MW326.37 g/mol
LogP0.56
Rot. Bonds6

About 3-methylsulfonyl-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]propanamide

3-methylsulfonyl-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]propanamide (PubChem CID 110632601) has the molecular formula C14H18N2O5S and a molecular weight of 326.37 g/mol. Its IUPAC name is 3-methylsulfonyl-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]propanamide.

Molecular Properties

Compound Name3-methylsulfonyl-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]propanamide
PubChem CID110632601
Molecular FormulaC14H18N2O5S
Molecular Weight326.37 g/mol
Exact Mass326.09
IUPAC Name3-methylsulfonyl-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]propanamide
SMILESCS(=O)(=O)CCC(=O)NCC1CN(c2ccccc2)C(=O)O1
InChIInChI=1S/C14H18N2O5S/c1-22(19,20)8-7-13(17)15-9-12-10-16(14(18)21-12)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,15,17)
InChIKeyBVQASMOKOVOJCC-UHFFFAOYSA-N
XLogP0.56
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-morpholin-4-ylsulfonyl-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]propanamide
CID 110310974
N-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
CID 51453772
2-ethoxy-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]acetamide
CID 16920412
N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]-3-phenylbutanamide
CID 110632574
4-(2-fluorophenyl)-4-oxo-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]butanamide
CID 110632616
N,N-dimethyl-4-[3-oxo-3-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methylamino]propyl]benzamide
CID 110311010
2-(4-chlorophenyl)-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]acetamide
CID 16920496
but-2-yne;ethane;N-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]acetamide
CID 90796180
2-methoxy-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzamide
CID 16920424
N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-phenoxypropanamide
CID 110327898
ethyl 2-oxo-2-[[(5R)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methylamino]acetate
CID 40923689
2-(4-morpholin-4-ylphenyl)-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]acetamide
CID 110632593

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]propanamide?
The IUPAC name of 3-methylsulfonyl-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]propanamide (CID 110632601) is 3-methylsulfonyl-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]propanamide.
What is the SMILES notation for 3-methylsulfonyl-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]propanamide?
The canonical SMILES for 3-methylsulfonyl-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]propanamide is CS(=O)(=O)CCC(=O)NCC1CN(c2ccccc2)C(=O)O1.
What is the InChIKey of 3-methylsulfonyl-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]propanamide?
The InChIKey is BVQASMOKOVOJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5S/c1-22(19,20)8-7-13(17)15-9-12-10-16(14(18)21-12)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,15,17).
What are the key properties of 3-methylsulfonyl-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]propanamide?
3-methylsulfonyl-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]propanamide has a molecular weight of 326.37 g/mol, XLogP of 0.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]propanamide is sourced from PubChem (CID 110632601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).