N-benzyl-N'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]oxamide

C16H17ClN2O3S — CID 121180311

IUPACN-benzyl-N'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]oxamide
SMILESCOC(CNC(=O)C(=O)NCc1ccccc1)c1ccc(Cl)s1
InChIInChI=1S/C16H17ClN2O3S/c1-22-12(13-7-8-14(17)23-13)10-19-16(21)15(20)18-9-11-5-3-2-4-6-11/h2-8,12H,9-10H2,1H3,(H,18,20)(H,19,21)
InChIKeyWAFGJNZNPXTCTM-UHFFFAOYSA-N
MW352.84 g/mol
LogP2.52
Rot. Bonds6

About N-benzyl-N'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]oxamide

N-benzyl-N'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]oxamide (PubChem CID 121180311) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is N-benzyl-N'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]oxamide.

Molecular Properties

Compound NameN-benzyl-N'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]oxamide
PubChem CID121180311
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC NameN-benzyl-N'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]oxamide
SMILESCOC(CNC(=O)C(=O)NCc1ccccc1)c1ccc(Cl)s1
InChIInChI=1S/C16H17ClN2O3S/c1-22-12(13-7-8-14(17)23-13)10-19-16(21)15(20)18-9-11-5-3-2-4-6-11/h2-8,12H,9-10H2,1H3,(H,18,20)(H,19,21)
InChIKeyWAFGJNZNPXTCTM-UHFFFAOYSA-N
XLogP2.52
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-N-[(4-methoxyphenyl)methyl]oxamide
CID 121180341
N'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-N-propyloxamide
CID 121180303
1-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-[(4-fluorophenyl)methyl]urea
CID 100730566
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-phenylbutanamide
CID 121180109
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-phenylmethanesulfonamide
CID 91631033
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]butanamide
CID 121180066
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-methylsulfanylbenzamide
CID 91630971
1-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-(2-methylphenyl)urea
CID 91631086
N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-9H-xanthene-9-carboxamide
CID 100728569
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-benzofuran-2-carboxamide
CID 121180105
N'-[2-(2-chlorophenyl)-2-methoxyethyl]-N-[(4-methylphenyl)methyl]oxamide
CID 90623943
N-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-methyltriazole-4-carboxamide
CID 100728871

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]oxamide?
The IUPAC name of N-benzyl-N'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]oxamide (CID 121180311) is N-benzyl-N'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]oxamide.
What is the SMILES notation for N-benzyl-N'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]oxamide?
The canonical SMILES for N-benzyl-N'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]oxamide is COC(CNC(=O)C(=O)NCc1ccccc1)c1ccc(Cl)s1.
What is the InChIKey of N-benzyl-N'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]oxamide?
The InChIKey is WAFGJNZNPXTCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-22-12(13-7-8-14(17)23-13)10-19-16(21)15(20)18-9-11-5-3-2-4-6-11/h2-8,12H,9-10H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-benzyl-N'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]oxamide?
N-benzyl-N'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]oxamide has a molecular weight of 352.84 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]oxamide is sourced from PubChem (CID 121180311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).