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

C17H18ClN3O5S2 — CID 40785461

IUPACN'-[(4-chlorophenyl)methyl]-N-[[(2R)-3-thiophen-2-ylsulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
SMILESO=C(NCc1ccc(Cl)cc1)C(=O)NC[C@H]1OCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C17H18ClN3O5S2/c18-13-5-3-12(4-6-13)10-19-16(22)17(23)20-11-14-21(7-8-26-14)28(24,25)15-2-1-9-27-15/h1-6,9,14H,7-8,10-11H2,(H,19,22)(H,20,23)/t14-/m1/s1
InChIKeyUTWAMZSGLRNSST-CQSZACIVSA-N
MW443.93 g/mol
LogP1.18
Rot. Bonds6

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

N'-[(4-chlorophenyl)methyl]-N-[[(2R)-3-thiophen-2-ylsulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide (PubChem CID 40785461) has the molecular formula C17H18ClN3O5S2 and a molecular weight of 443.93 g/mol. Its IUPAC name is N'-[(4-chlorophenyl)methyl]-N-[[(2R)-3-thiophen-2-ylsulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-[(4-chlorophenyl)methyl]-N-[[(2R)-3-thiophen-2-ylsulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
PubChem CID40785461
Molecular FormulaC17H18ClN3O5S2
Molecular Weight443.93 g/mol
Exact Mass443.04
IUPAC NameN'-[(4-chlorophenyl)methyl]-N-[[(2R)-3-thiophen-2-ylsulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
SMILESO=C(NCc1ccc(Cl)cc1)C(=O)NC[C@H]1OCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C17H18ClN3O5S2/c18-13-5-3-12(4-6-13)10-19-16(22)17(23)20-11-14-21(7-8-26-14)28(24,25)15-2-1-9-27-15/h1-6,9,14H,7-8,10-11H2,(H,19,22)(H,20,23)/t14-/m1/s1
InChIKeyUTWAMZSGLRNSST-CQSZACIVSA-N
XLogP1.18
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.93
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-[(4-chlorophenyl)methyl]-N-[[(2R)-3-thiophen-2-ylsulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide with MolForge

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Related Compounds

N'-benzyl-N-[(3-thiophen-2-ylsulfonyl-1,3-oxazolidin-2-yl)methyl]oxamide
CID 12006054
N'-(pyridin-4-ylmethyl)-N-[[(2R)-3-thiophen-2-ylsulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
CID 41092815
N'-(pyridin-4-ylmethyl)-N-[(3-thiophen-2-ylsulfonyl-1,3-oxazolidin-2-yl)methyl]oxamide
CID 18561487
N'-[(4-chlorophenyl)methyl]-N-[[(2R)-3-(4-chlorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
CID 41140325
N'-[(4-chlorophenyl)methyl]-N-[[(2S)-3-(4-chlorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
CID 41140326
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-[[(2S)-3-(4-bromophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N'-[(4-chlorophenyl)methyl]oxamide
CID 42399575
N'-[(4-chlorophenyl)methyl]-N-[[3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
CID 18561526
N'-(1,3-benzodioxol-5-ylmethyl)-N-[[(2R)-3-thiophen-2-ylsulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 42428057
N'-[(4-chlorophenyl)methyl]-N-[[(2S)-3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
CID 41140270
N'-(pyridin-2-ylmethyl)-N-[[(2R)-3-thiophen-2-ylsulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 41092845

Frequently Asked Questions

What is the IUPAC name of N'-[(4-chlorophenyl)methyl]-N-[[(2R)-3-thiophen-2-ylsulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide?
The IUPAC name of N'-[(4-chlorophenyl)methyl]-N-[[(2R)-3-thiophen-2-ylsulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide (CID 40785461) is N'-[(4-chlorophenyl)methyl]-N-[[(2R)-3-thiophen-2-ylsulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide.
What is the SMILES notation for N'-[(4-chlorophenyl)methyl]-N-[[(2R)-3-thiophen-2-ylsulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide?
The canonical SMILES for N'-[(4-chlorophenyl)methyl]-N-[[(2R)-3-thiophen-2-ylsulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide is O=C(NCc1ccc(Cl)cc1)C(=O)NC[C@H]1OCCN1S(=O)(=O)c1cccs1.
What is the InChIKey of N'-[(4-chlorophenyl)methyl]-N-[[(2R)-3-thiophen-2-ylsulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide?
The InChIKey is UTWAMZSGLRNSST-CQSZACIVSA-N. The full InChI is InChI=1S/C17H18ClN3O5S2/c18-13-5-3-12(4-6-13)10-19-16(22)17(23)20-11-14-21(7-8-26-14)28(24,25)15-2-1-9-27-15/h1-6,9,14H,7-8,10-11H2,(H,19,22)(H,20,23)/t14-/m1/s1.
What are the key properties of N'-[(4-chlorophenyl)methyl]-N-[[(2R)-3-thiophen-2-ylsulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide?
N'-[(4-chlorophenyl)methyl]-N-[[(2R)-3-thiophen-2-ylsulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide has a molecular weight of 443.93 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-chlorophenyl)methyl]-N-[[(2R)-3-thiophen-2-ylsulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide is sourced from PubChem (CID 40785461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).