N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-4-propylbenzenesulfonamide

C19H22N2O4S — CID 47063048

IUPACN-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2cccc(CN3CCOC3=O)c2)cc1
InChIInChI=1S/C19H22N2O4S/c1-2-4-15-7-9-18(10-8-15)26(23,24)20-17-6-3-5-16(13-17)14-21-11-12-25-19(21)22/h3,5-10,13,20H,2,4,11-12,14H2,1H3
InChIKeyCEIRUONQSOKJDH-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.39
Rot. Bonds7

About N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-4-propylbenzenesulfonamide

N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-4-propylbenzenesulfonamide (PubChem CID 47063048) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-4-propylbenzenesulfonamide
PubChem CID47063048
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2cccc(CN3CCOC3=O)c2)cc1
InChIInChI=1S/C19H22N2O4S/c1-2-4-15-7-9-18(10-8-15)26(23,24)20-17-6-3-5-16(13-17)14-21-11-12-25-19(21)22/h3,5-10,13,20H,2,4,11-12,14H2,1H3
InChIKeyCEIRUONQSOKJDH-UHFFFAOYSA-N
XLogP3.39
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-Oxo-3-m-tolyl-2,3-dihydro-oxazol-4-yl)-benzenesulfonamide
CID 10711484
4-(5-Methyl-2-oxo-3-m-tolyl-2,3-dihydro-oxazol-4-yl)-benzenesulfonamide
CID 10831290
2-[(4-Methylphenyl)sulfonylamino]acetic acid [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] ester
CID 2347404
[2-(N-methylanilino)-2-oxoethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 7168457
2-{(2-Methoxy-ethyl)-[4-(pyrrolidine-1-sulfonyl)-benzenesulfonyl]-amino}-N-m-tolyl-acetamide
CID 649537
Ethyl {4-[(2-methylphenyl)sulfamoyl]benzyl}carbamate
CID 847829
Ethyl 4-(4-toluidinosulfonyl)benzylcarbamate
CID 847926
[2-(N-methylanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]propanoate
CID 3399833
N-[[(5R)-3-(3-fluoro-4-morpholino-phenyl)-2-oxo-oxazolidin-5-yl]methyl]-4-methyl-benzenesulfonamide
CID 51356801
1-(4-fluorophenyl)-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]methanesulfonamide
CID 51118411
2-fluoro-5-methyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzenesulfonamide
CID 51118413
4-tert-butyl-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide
CID 177646150

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-4-propylbenzenesulfonamide?
The IUPAC name of N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-4-propylbenzenesulfonamide (CID 47063048) is N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-4-propylbenzenesulfonamide.
What is the SMILES notation for N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-4-propylbenzenesulfonamide?
The canonical SMILES for N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)Nc2cccc(CN3CCOC3=O)c2)cc1.
What is the InChIKey of N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-4-propylbenzenesulfonamide?
The InChIKey is CEIRUONQSOKJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-2-4-15-7-9-18(10-8-15)26(23,24)20-17-6-3-5-16(13-17)14-21-11-12-25-19(21)22/h3,5-10,13,20H,2,4,11-12,14H2,1H3.
What are the key properties of N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-4-propylbenzenesulfonamide?
N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-4-propylbenzenesulfonamide has a molecular weight of 374.46 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-4-propylbenzenesulfonamide is sourced from PubChem (CID 47063048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).