N'-(5-chloro-2-cyanophenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide

C19H14ClN3O3S2 — CID 121170328

IUPACN'-(5-chloro-2-cyanophenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)C(=O)NCC(O)(c1ccsc1)c1cccs1
InChIInChI=1S/C19H14ClN3O3S2/c20-14-4-3-12(9-21)15(8-14)23-18(25)17(24)22-11-19(26,13-5-7-27-10-13)16-2-1-6-28-16/h1-8,10,26H,11H2,(H,22,24)(H,23,25)
InChIKeyUEESNDMSCJIWPO-UHFFFAOYSA-N
MW431.93 g/mol
LogP3.33
Rot. Bonds5

About N'-(5-chloro-2-cyanophenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide

N'-(5-chloro-2-cyanophenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide (PubChem CID 121170328) has the molecular formula C19H14ClN3O3S2 and a molecular weight of 431.93 g/mol. Its IUPAC name is N'-(5-chloro-2-cyanophenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide.

Molecular Properties

Compound NameN'-(5-chloro-2-cyanophenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide
PubChem CID121170328
Molecular FormulaC19H14ClN3O3S2
Molecular Weight431.93 g/mol
Exact Mass431.02
IUPAC NameN'-(5-chloro-2-cyanophenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)C(=O)NCC(O)(c1ccsc1)c1cccs1
InChIInChI=1S/C19H14ClN3O3S2/c20-14-4-3-12(9-21)15(8-14)23-18(25)17(24)22-11-19(26,13-5-7-27-10-13)16-2-1-6-28-16/h1-8,10,26H,11H2,(H,22,24)(H,23,25)
InChIKeyUEESNDMSCJIWPO-UHFFFAOYSA-N
XLogP3.33
TPSA102.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.93
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(3,5-dimethylphenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide
CID 121170293
N-ethyl-N'-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide
CID 121170273
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 121170284
N-benzyl-N'-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide
CID 121170286
2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]acetamide
CID 129417977
N'-(1,3-benzodioxol-5-yl)-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]oxamide
CID 124873818
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2-thiophen-3-ylacetamide
CID 121170151
2-chloro-6-fluoro-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]benzamide
CID 124759513
1-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-3-propylurea
CID 121170348
N'-(5-chloro-2-cyanophenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]oxamide
CID 90498404
4-cyano-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]benzenesulfonamide
CID 129417818
N'-(2-cyanophenyl)-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)oxamide
CID 126852187

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-cyanophenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide?
The IUPAC name of N'-(5-chloro-2-cyanophenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide (CID 121170328) is N'-(5-chloro-2-cyanophenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide.
What is the SMILES notation for N'-(5-chloro-2-cyanophenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide?
The canonical SMILES for N'-(5-chloro-2-cyanophenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide is N#Cc1ccc(Cl)cc1NC(=O)C(=O)NCC(O)(c1ccsc1)c1cccs1.
What is the InChIKey of N'-(5-chloro-2-cyanophenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide?
The InChIKey is UEESNDMSCJIWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O3S2/c20-14-4-3-12(9-21)15(8-14)23-18(25)17(24)22-11-19(26,13-5-7-27-10-13)16-2-1-6-28-16/h1-8,10,26H,11H2,(H,22,24)(H,23,25).
What are the key properties of N'-(5-chloro-2-cyanophenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide?
N'-(5-chloro-2-cyanophenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide has a molecular weight of 431.93 g/mol, XLogP of 3.33, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-cyanophenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide is sourced from PubChem (CID 121170328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).