4-methoxy-N-[3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-2-ynyl]benzenesulfonamide

C19H18N2O5S — CID 102582925

IUPAC4-methoxy-N-[3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-2-ynyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C#CN2CCOC2=O)c2ccccc2)cc1
InChIInChI=1S/C19H18N2O5S/c1-25-16-7-9-17(10-8-16)27(23,24)20-18(15-5-3-2-4-6-15)11-12-21-13-14-26-19(21)22/h2-10,18,20H,13-14H2,1H3
InChIKeyJONGOMINRUZRJZ-UHFFFAOYSA-N
MW386.43 g/mol
LogP2.13
Rot. Bonds5

About 4-methoxy-N-[3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-2-ynyl]benzenesulfonamide

4-methoxy-N-[3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-2-ynyl]benzenesulfonamide (PubChem CID 102582925) has the molecular formula C19H18N2O5S and a molecular weight of 386.43 g/mol. Its IUPAC name is 4-methoxy-N-[3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-2-ynyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-2-ynyl]benzenesulfonamide
PubChem CID102582925
Molecular FormulaC19H18N2O5S
Molecular Weight386.43 g/mol
Exact Mass386.09
IUPAC Name4-methoxy-N-[3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-2-ynyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C#CN2CCOC2=O)c2ccccc2)cc1
InChIInChI=1S/C19H18N2O5S/c1-25-16-7-9-17(10-8-16)27(23,24)20-18(15-5-3-2-4-6-15)11-12-21-13-14-26-19(21)22/h2-10,18,20H,13-14H2,1H3
InChIKeyJONGOMINRUZRJZ-UHFFFAOYSA-N
XLogP2.13
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-2-ynyl]benzenesulfonamide
CID 102582929
N-[(1S)-1,3-diphenylprop-2-ynyl]-4-methoxybenzenesulfonamide
CID 102410740
4-methoxy-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide
CID 8844917
4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 4092765
4-methoxy-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzenesulfonamide
CID 110286966
N-(2-chloro-1-phenylethyl)-4-methoxybenzenesulfonamide
CID 65031277
4-methoxy-N-(3-methyl-1-phenylbutyl)benzenesulfonamide
CID 46764694
2-[(4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid
CID 500044
N-[2-(dimethylamino)-1-phenylethyl]-4-methoxybenzenesulfonamide
CID 54774542
N-[(1S)-1,4-diphenylbut-3-ynyl]-4-methoxybenzenesulfonamide
CID 134879610
N-[cyano-(4-methylphenyl)methyl]-4-methoxybenzenesulfonamide
CID 110664230
N-(2,2-diphenylethyl)-4-methoxybenzenesulfonamide
CID 25041291

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-2-ynyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-2-ynyl]benzenesulfonamide (CID 102582925) is 4-methoxy-N-[3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-2-ynyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-2-ynyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-2-ynyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NC(C#CN2CCOC2=O)c2ccccc2)cc1.
What is the InChIKey of 4-methoxy-N-[3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-2-ynyl]benzenesulfonamide?
The InChIKey is JONGOMINRUZRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5S/c1-25-16-7-9-17(10-8-16)27(23,24)20-18(15-5-3-2-4-6-15)11-12-21-13-14-26-19(21)22/h2-10,18,20H,13-14H2,1H3.
What are the key properties of 4-methoxy-N-[3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-2-ynyl]benzenesulfonamide?
4-methoxy-N-[3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-2-ynyl]benzenesulfonamide has a molecular weight of 386.43 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-2-ynyl]benzenesulfonamide is sourced from PubChem (CID 102582925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).