N'-(pyridin-4-ylmethyl)-N-[(3-thiophen-2-ylsulfonyl-1,3-oxazolidin-2-yl)methyl]oxamide

C16H18N4O5S2 — CID 18561487

IUPACN'-(pyridin-4-ylmethyl)-N-[(3-thiophen-2-ylsulfonyl-1,3-oxazolidin-2-yl)methyl]oxamide
SMILESO=C(NCc1ccncc1)C(=O)NCC1OCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C16H18N4O5S2/c21-15(18-10-12-3-5-17-6-4-12)16(22)19-11-13-20(7-8-25-13)27(23,24)14-2-1-9-26-14/h1-6,9,13H,7-8,10-11H2,(H,18,21)(H,19,22)
InChIKeyMVZRNDODKQAKQF-UHFFFAOYSA-N
MW410.48 g/mol
LogP-0.08
Rot. Bonds6

About N'-(pyridin-4-ylmethyl)-N-[(3-thiophen-2-ylsulfonyl-1,3-oxazolidin-2-yl)methyl]oxamide

N'-(pyridin-4-ylmethyl)-N-[(3-thiophen-2-ylsulfonyl-1,3-oxazolidin-2-yl)methyl]oxamide (PubChem CID 18561487) has the molecular formula C16H18N4O5S2 and a molecular weight of 410.48 g/mol. Its IUPAC name is N'-(pyridin-4-ylmethyl)-N-[(3-thiophen-2-ylsulfonyl-1,3-oxazolidin-2-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-(pyridin-4-ylmethyl)-N-[(3-thiophen-2-ylsulfonyl-1,3-oxazolidin-2-yl)methyl]oxamide
PubChem CID18561487
Molecular FormulaC16H18N4O5S2
Molecular Weight410.48 g/mol
Exact Mass410.07
IUPAC NameN'-(pyridin-4-ylmethyl)-N-[(3-thiophen-2-ylsulfonyl-1,3-oxazolidin-2-yl)methyl]oxamide
SMILESO=C(NCc1ccncc1)C(=O)NCC1OCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C16H18N4O5S2/c21-15(18-10-12-3-5-17-6-4-12)16(22)19-11-13-20(7-8-25-13)27(23,24)14-2-1-9-26-14/h1-6,9,13H,7-8,10-11H2,(H,18,21)(H,19,22)
InChIKeyMVZRNDODKQAKQF-UHFFFAOYSA-N
XLogP-0.08
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-(pyridin-4-ylmethyl)-N-[[(2R)-3-thiophen-2-ylsulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
CID 41092815
N'-(pyridin-4-ylmethyl)-N-[[(2S)-3-thiophen-2-ylsulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 41092850
N'-(pyridin-4-ylmethyl)-N-[(3-thiophen-2-ylsulfonyl-1,3-oxazinan-2-yl)methyl]oxamide
CID 18561608
N'-benzyl-N-[(3-thiophen-2-ylsulfonyl-1,3-oxazolidin-2-yl)methyl]oxamide
CID 12006054
N'-[(4-chlorophenyl)methyl]-N-[[(2R)-3-thiophen-2-ylsulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
CID 40785461
N'-(pyridin-2-ylmethyl)-N-[[(2R)-3-thiophen-2-ylsulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 41092845
N-[[(2S)-3-(4-bromophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N'-(pyridin-4-ylmethyl)oxamide
CID 41092770
N'-(pyridin-4-ylmethyl)-N-[[(2S)-3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
CID 41092794
N'-(1,3-benzodioxol-5-ylmethyl)-N-[[(2R)-3-thiophen-2-ylsulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 42428057
N-[[3-(3,4-dimethoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N'-(pyridin-4-ylmethyl)oxamide
CID 16825546
N-[2-(dimethylamino)ethyl]-N'-[[(2S)-3-thiophen-2-ylsulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 40785400
N-(3-methylbutyl)-N'-[[(2S)-3-thiophen-2-ylsulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 7197142

Frequently Asked Questions

What is the IUPAC name of N'-(pyridin-4-ylmethyl)-N-[(3-thiophen-2-ylsulfonyl-1,3-oxazolidin-2-yl)methyl]oxamide?
The IUPAC name of N'-(pyridin-4-ylmethyl)-N-[(3-thiophen-2-ylsulfonyl-1,3-oxazolidin-2-yl)methyl]oxamide (CID 18561487) is N'-(pyridin-4-ylmethyl)-N-[(3-thiophen-2-ylsulfonyl-1,3-oxazolidin-2-yl)methyl]oxamide.
What is the SMILES notation for N'-(pyridin-4-ylmethyl)-N-[(3-thiophen-2-ylsulfonyl-1,3-oxazolidin-2-yl)methyl]oxamide?
The canonical SMILES for N'-(pyridin-4-ylmethyl)-N-[(3-thiophen-2-ylsulfonyl-1,3-oxazolidin-2-yl)methyl]oxamide is O=C(NCc1ccncc1)C(=O)NCC1OCCN1S(=O)(=O)c1cccs1.
What is the InChIKey of N'-(pyridin-4-ylmethyl)-N-[(3-thiophen-2-ylsulfonyl-1,3-oxazolidin-2-yl)methyl]oxamide?
The InChIKey is MVZRNDODKQAKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O5S2/c21-15(18-10-12-3-5-17-6-4-12)16(22)19-11-13-20(7-8-25-13)27(23,24)14-2-1-9-26-14/h1-6,9,13H,7-8,10-11H2,(H,18,21)(H,19,22).
What are the key properties of N'-(pyridin-4-ylmethyl)-N-[(3-thiophen-2-ylsulfonyl-1,3-oxazolidin-2-yl)methyl]oxamide?
N'-(pyridin-4-ylmethyl)-N-[(3-thiophen-2-ylsulfonyl-1,3-oxazolidin-2-yl)methyl]oxamide has a molecular weight of 410.48 g/mol, XLogP of -0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(pyridin-4-ylmethyl)-N-[(3-thiophen-2-ylsulfonyl-1,3-oxazolidin-2-yl)methyl]oxamide is sourced from PubChem (CID 18561487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).