N-[5-benzyl-3-(4-methylphenyl)sulfonyl-4-oxo-2-thiophen-3-yl-1,3-oxazolidin-5-yl]benzamide

C28H24N2O5S2 — CID 102112995

IUPACN-[5-benzyl-3-(4-methylphenyl)sulfonyl-4-oxo-2-thiophen-3-yl-1,3-oxazolidin-5-yl]benzamide
SMILESCc1ccc(S(=O)(=O)N2C(=O)C(Cc3ccccc3)(NC(=O)c3ccccc3)OC2c2ccsc2)cc1
InChIInChI=1S/C28H24N2O5S2/c1-20-12-14-24(15-13-20)37(33,34)30-26(23-16-17-36-19-23)35-28(27(30)32,18-21-8-4-2-5-9-21)29-25(31)22-10-6-3-7-11-22/h2-17,19,26H,18H2,1H3,(H,29,31)
InChIKeyBVTOOZISYTUAEV-UHFFFAOYSA-N
MW532.64 g/mol
LogP4.67
Rot. Bonds7

About N-[5-benzyl-3-(4-methylphenyl)sulfonyl-4-oxo-2-thiophen-3-yl-1,3-oxazolidin-5-yl]benzamide

N-[5-benzyl-3-(4-methylphenyl)sulfonyl-4-oxo-2-thiophen-3-yl-1,3-oxazolidin-5-yl]benzamide (PubChem CID 102112995) has the molecular formula C28H24N2O5S2 and a molecular weight of 532.64 g/mol. Its IUPAC name is N-[5-benzyl-3-(4-methylphenyl)sulfonyl-4-oxo-2-thiophen-3-yl-1,3-oxazolidin-5-yl]benzamide.

Molecular Properties

Compound NameN-[5-benzyl-3-(4-methylphenyl)sulfonyl-4-oxo-2-thiophen-3-yl-1,3-oxazolidin-5-yl]benzamide
PubChem CID102112995
Molecular FormulaC28H24N2O5S2
Molecular Weight532.64 g/mol
Exact Mass532.11
IUPAC NameN-[5-benzyl-3-(4-methylphenyl)sulfonyl-4-oxo-2-thiophen-3-yl-1,3-oxazolidin-5-yl]benzamide
SMILESCc1ccc(S(=O)(=O)N2C(=O)C(Cc3ccccc3)(NC(=O)c3ccccc3)OC2c2ccsc2)cc1
InChIInChI=1S/C28H24N2O5S2/c1-20-12-14-24(15-13-20)37(33,34)30-26(23-16-17-36-19-23)35-28(27(30)32,18-21-8-4-2-5-9-21)29-25(31)22-10-6-3-7-11-22/h2-17,19,26H,18H2,1H3,(H,29,31)
InChIKeyBVTOOZISYTUAEV-UHFFFAOYSA-N
XLogP4.67
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.64
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-benzyl-2-(4-methylphenyl)-3-(4-methylphenyl)sulfonyl-4-oxo-1,3-oxazolidin-5-yl]benzamide
CID 102112991
(4R,5S)-4-benzoyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one
CID 11133598
methyl 3-benzyl-1-(4-methylphenyl)sulfonyl-5-oxo-2-phenylpyrrolidine-3-carboxylate
CID 134854079
(3aS,6R,7R,7aS)-2,2-dimethyl-5-(4-methylphenyl)sulfonyl-4-oxo-7-phenylmethoxy-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyridine-6-carboxylic acid
CID 11236871
N-[(3S,5S)-5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-oxopyrrolidin-3-yl]benzamide
CID 135021241
(2R,3R,4R)-3-methyl-1-(4-methylphenyl)sulfonyl-4-thiophen-3-yl-2,3,4,9-tetrahydropyrido[2,3-b]indol-2-ol
CID 166444040
1-(4-methylphenyl)sulfonyl-4-phenyl-2-thiophen-3-yl-2H-[1]benzofuro[3,2-b]pyridine
CID 156696974
[(1S,5R,6S,7R)-7-benzoyl-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.2.0]heptan-6-yl]-phenylmethanone
CID 11167059
lithium;hydride;N-(4-methylphenyl)sulfonylbenzamide
CID 173095463
(2R,5S)-2-(2-chlorophenyl)-5-ethyl-5-(4-methylphenyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-4-one
CID 102259017
(2S)-1-(4-methylphenyl)sulfonyl-N-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide
CID 55940980
(3R,3aS,4S,7aS)-4-chloro-1-(4-methylphenyl)sulfonyl-3-thiophen-3-yl-3a,4,5,6,7,7a-hexahydro-3H-indol-2-one
CID 139048948

Frequently Asked Questions

What is the IUPAC name of N-[5-benzyl-3-(4-methylphenyl)sulfonyl-4-oxo-2-thiophen-3-yl-1,3-oxazolidin-5-yl]benzamide?
The IUPAC name of N-[5-benzyl-3-(4-methylphenyl)sulfonyl-4-oxo-2-thiophen-3-yl-1,3-oxazolidin-5-yl]benzamide (CID 102112995) is N-[5-benzyl-3-(4-methylphenyl)sulfonyl-4-oxo-2-thiophen-3-yl-1,3-oxazolidin-5-yl]benzamide.
What is the SMILES notation for N-[5-benzyl-3-(4-methylphenyl)sulfonyl-4-oxo-2-thiophen-3-yl-1,3-oxazolidin-5-yl]benzamide?
The canonical SMILES for N-[5-benzyl-3-(4-methylphenyl)sulfonyl-4-oxo-2-thiophen-3-yl-1,3-oxazolidin-5-yl]benzamide is Cc1ccc(S(=O)(=O)N2C(=O)C(Cc3ccccc3)(NC(=O)c3ccccc3)OC2c2ccsc2)cc1.
What is the InChIKey of N-[5-benzyl-3-(4-methylphenyl)sulfonyl-4-oxo-2-thiophen-3-yl-1,3-oxazolidin-5-yl]benzamide?
The InChIKey is BVTOOZISYTUAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O5S2/c1-20-12-14-24(15-13-20)37(33,34)30-26(23-16-17-36-19-23)35-28(27(30)32,18-21-8-4-2-5-9-21)29-25(31)22-10-6-3-7-11-22/h2-17,19,26H,18H2,1H3,(H,29,31).
What are the key properties of N-[5-benzyl-3-(4-methylphenyl)sulfonyl-4-oxo-2-thiophen-3-yl-1,3-oxazolidin-5-yl]benzamide?
N-[5-benzyl-3-(4-methylphenyl)sulfonyl-4-oxo-2-thiophen-3-yl-1,3-oxazolidin-5-yl]benzamide has a molecular weight of 532.64 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-benzyl-3-(4-methylphenyl)sulfonyl-4-oxo-2-thiophen-3-yl-1,3-oxazolidin-5-yl]benzamide is sourced from PubChem (CID 102112995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).