3-[(2,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]propanamide

C17H25N3O5S — CID 71847425

IUPAC3-[(2,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)N(C)CCN2CCOC2=O)c(C)c1
InChIInChI=1S/C17H25N3O5S/c1-13-4-5-15(14(2)12-13)26(23,24)18-7-6-16(21)19(3)8-9-20-10-11-25-17(20)22/h4-5,12,18H,6-11H2,1-3H3
InChIKeyFXSQDJQAKGHACY-UHFFFAOYSA-N
MW383.47 g/mol
LogP0.88
Rot. Bonds8

About 3-[(2,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]propanamide

3-[(2,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]propanamide (PubChem CID 71847425) has the molecular formula C17H25N3O5S and a molecular weight of 383.47 g/mol. Its IUPAC name is 3-[(2,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-[(2,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]propanamide
PubChem CID71847425
Molecular FormulaC17H25N3O5S
Molecular Weight383.47 g/mol
Exact Mass383.15
IUPAC Name3-[(2,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)N(C)CCN2CCOC2=O)c(C)c1
InChIInChI=1S/C17H25N3O5S/c1-13-4-5-15(14(2)12-13)26(23,24)18-7-6-16(21)19(3)8-9-20-10-11-25-17(20)22/h4-5,12,18H,6-11H2,1-3H3
InChIKeyFXSQDJQAKGHACY-UHFFFAOYSA-N
XLogP0.88
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]propanamide?
The IUPAC name of 3-[(2,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]propanamide (CID 71847425) is 3-[(2,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-[(2,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]propanamide?
The canonical SMILES for 3-[(2,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]propanamide is Cc1ccc(S(=O)(=O)NCCC(=O)N(C)CCN2CCOC2=O)c(C)c1.
What is the InChIKey of 3-[(2,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]propanamide?
The InChIKey is FXSQDJQAKGHACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O5S/c1-13-4-5-15(14(2)12-13)26(23,24)18-7-6-16(21)19(3)8-9-20-10-11-25-17(20)22/h4-5,12,18H,6-11H2,1-3H3.
What are the key properties of 3-[(2,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]propanamide?
3-[(2,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]propanamide has a molecular weight of 383.47 g/mol, XLogP of 0.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]propanamide is sourced from PubChem (CID 71847425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).