N-(2-phenylethyl)-N'-[(3-thiophen-2-ylsulfonyl-1,3-oxazolidin-2-yl)methyl]oxamide

C18H21N3O5S2 — CID 18561490

IUPACN-(2-phenylethyl)-N'-[(3-thiophen-2-ylsulfonyl-1,3-oxazolidin-2-yl)methyl]oxamide
SMILESO=C(NCCc1ccccc1)C(=O)NCC1OCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C18H21N3O5S2/c22-17(19-9-8-14-5-2-1-3-6-14)18(23)20-13-15-21(10-11-26-15)28(24,25)16-7-4-12-27-16/h1-7,12,15H,8-11,13H2,(H,19,22)(H,20,23)
InChIKeyALZAYGXIERPLOW-UHFFFAOYSA-N
MW423.52 g/mol
LogP0.57
Rot. Bonds7

About N-(2-phenylethyl)-N'-[(3-thiophen-2-ylsulfonyl-1,3-oxazolidin-2-yl)methyl]oxamide

N-(2-phenylethyl)-N'-[(3-thiophen-2-ylsulfonyl-1,3-oxazolidin-2-yl)methyl]oxamide (PubChem CID 18561490) has the molecular formula C18H21N3O5S2 and a molecular weight of 423.52 g/mol. Its IUPAC name is N-(2-phenylethyl)-N'-[(3-thiophen-2-ylsulfonyl-1,3-oxazolidin-2-yl)methyl]oxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-N'-[(3-thiophen-2-ylsulfonyl-1,3-oxazolidin-2-yl)methyl]oxamide
PubChem CID18561490
Molecular FormulaC18H21N3O5S2
Molecular Weight423.52 g/mol
Exact Mass423.09
IUPAC NameN-(2-phenylethyl)-N'-[(3-thiophen-2-ylsulfonyl-1,3-oxazolidin-2-yl)methyl]oxamide
SMILESO=C(NCCc1ccccc1)C(=O)NCC1OCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C18H21N3O5S2/c22-17(19-9-8-14-5-2-1-3-6-14)18(23)20-13-15-21(10-11-26-15)28(24,25)16-7-4-12-27-16/h1-7,12,15H,8-11,13H2,(H,19,22)(H,20,23)
InChIKeyALZAYGXIERPLOW-UHFFFAOYSA-N
XLogP0.57
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2-[[3-phenyl-2-(thiophen-2-ylsulfonylamino)propanoyl]amino]acetate
CID 3243538
N-(2-phenylethyl)-4-[(thien-2-ylsulfonyl)amino]butanamide
CID 16194039
N'-(thiophen-2-ylmethyl)-N-[(3-thiophen-2-ylsulfonyl-1,3-oxazinan-2-yl)methyl]oxamide
CID 4156821
N-[[3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N'-(thiophen-2-ylmethyl)oxamide
CID 4250425
N1-benzyl-N2-((3-(thiophen-2-ylsulfonyl)oxazolidin-2-yl)methyl)oxalamide
CID 12006054
N-[2-(4-methylbenzenesulfonyl)-2-(thiophen-2-yl)ethyl]-N'-(2-phenylethyl)ethanediamide
CID 16032107
N'-[2-(4-fluorophenyl)ethyl]-N-[2-(thiophen-2-yl)-2-(thiophene-2-sulfonyl)ethyl]ethanediamide
CID 16032184
N1-(4-fluorophenethyl)-N2-(2-(phenylsulfonyl)-2-(thiophen-2-yl)ethyl)oxalamide
CID 16034790
N-{[3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methyl}-N'-(2-phenylethyl)ethanediamide
CID 16194546
N1-(thiophen-2-ylmethyl)-N2-((1-tosylpyrrolidin-2-yl)methyl)oxalamide
CID 16829862
N1-benzyl-N2-((1-(thiophen-2-ylsulfonyl)pyrrolidin-2-yl)methyl)oxalamide
CID 16829959
N1-(4-methylbenzyl)-N2-((1-(thiophen-2-ylsulfonyl)pyrrolidin-2-yl)methyl)oxalamide
CID 16829960

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-N'-[(3-thiophen-2-ylsulfonyl-1,3-oxazolidin-2-yl)methyl]oxamide?
The IUPAC name of N-(2-phenylethyl)-N'-[(3-thiophen-2-ylsulfonyl-1,3-oxazolidin-2-yl)methyl]oxamide (CID 18561490) is N-(2-phenylethyl)-N'-[(3-thiophen-2-ylsulfonyl-1,3-oxazolidin-2-yl)methyl]oxamide.
What is the SMILES notation for N-(2-phenylethyl)-N'-[(3-thiophen-2-ylsulfonyl-1,3-oxazolidin-2-yl)methyl]oxamide?
The canonical SMILES for N-(2-phenylethyl)-N'-[(3-thiophen-2-ylsulfonyl-1,3-oxazolidin-2-yl)methyl]oxamide is O=C(NCCc1ccccc1)C(=O)NCC1OCCN1S(=O)(=O)c1cccs1.
What is the InChIKey of N-(2-phenylethyl)-N'-[(3-thiophen-2-ylsulfonyl-1,3-oxazolidin-2-yl)methyl]oxamide?
The InChIKey is ALZAYGXIERPLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5S2/c22-17(19-9-8-14-5-2-1-3-6-14)18(23)20-13-15-21(10-11-26-15)28(24,25)16-7-4-12-27-16/h1-7,12,15H,8-11,13H2,(H,19,22)(H,20,23).
What are the key properties of N-(2-phenylethyl)-N'-[(3-thiophen-2-ylsulfonyl-1,3-oxazolidin-2-yl)methyl]oxamide?
N-(2-phenylethyl)-N'-[(3-thiophen-2-ylsulfonyl-1,3-oxazolidin-2-yl)methyl]oxamide has a molecular weight of 423.52 g/mol, XLogP of 0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-N'-[(3-thiophen-2-ylsulfonyl-1,3-oxazolidin-2-yl)methyl]oxamide is sourced from PubChem (CID 18561490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).