N'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-N-[(4-methoxyphenyl)methyl]oxamide

C17H19ClN2O4S — CID 121180341

IUPACN'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-N-[(4-methoxyphenyl)methyl]oxamide
SMILESCOc1ccc(CNC(=O)C(=O)NCC(OC)c2ccc(Cl)s2)cc1
InChIInChI=1S/C17H19ClN2O4S/c1-23-12-5-3-11(4-6-12)9-19-16(21)17(22)20-10-13(24-2)14-7-8-15(18)25-14/h3-8,13H,9-10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeySVOTUBACHSVNBL-UHFFFAOYSA-N
MW382.87 g/mol
LogP2.53
Rot. Bonds7

About N'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-N-[(4-methoxyphenyl)methyl]oxamide

N'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-N-[(4-methoxyphenyl)methyl]oxamide (PubChem CID 121180341) has the molecular formula C17H19ClN2O4S and a molecular weight of 382.87 g/mol. Its IUPAC name is N'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-N-[(4-methoxyphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-N-[(4-methoxyphenyl)methyl]oxamide
PubChem CID121180341
Molecular FormulaC17H19ClN2O4S
Molecular Weight382.87 g/mol
Exact Mass382.08
IUPAC NameN'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-N-[(4-methoxyphenyl)methyl]oxamide
SMILESCOc1ccc(CNC(=O)C(=O)NCC(OC)c2ccc(Cl)s2)cc1
InChIInChI=1S/C17H19ClN2O4S/c1-23-12-5-3-11(4-6-12)9-19-16(21)17(22)20-10-13(24-2)14-7-8-15(18)25-14/h3-8,13H,9-10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeySVOTUBACHSVNBL-UHFFFAOYSA-N
XLogP2.53
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]oxamide
CID 121180311
1-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-[(4-fluorophenyl)methyl]urea
CID 100730566
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]butanamide
CID 121180066
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-(4-fluorophenoxy)acetamide
CID 121180122
5-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-methoxybenzamide
CID 121180146
N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-methoxy-2-thiophen-3-ylethyl]oxamide
CID 97414515
1-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-(4-fluorophenyl)urea
CID 121180386
5-chloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 90598345
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
5-bromo-2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]benzamide
CID 121180187
1-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-cyclohexylurea
CID 121180382

Frequently Asked Questions

What is the IUPAC name of N'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-N-[(4-methoxyphenyl)methyl]oxamide?
The IUPAC name of N'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-N-[(4-methoxyphenyl)methyl]oxamide (CID 121180341) is N'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-N-[(4-methoxyphenyl)methyl]oxamide.
What is the SMILES notation for N'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-N-[(4-methoxyphenyl)methyl]oxamide?
The canonical SMILES for N'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-N-[(4-methoxyphenyl)methyl]oxamide is COc1ccc(CNC(=O)C(=O)NCC(OC)c2ccc(Cl)s2)cc1.
What is the InChIKey of N'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-N-[(4-methoxyphenyl)methyl]oxamide?
The InChIKey is SVOTUBACHSVNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4S/c1-23-12-5-3-11(4-6-12)9-19-16(21)17(22)20-10-13(24-2)14-7-8-15(18)25-14/h3-8,13H,9-10H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-N-[(4-methoxyphenyl)methyl]oxamide?
N'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-N-[(4-methoxyphenyl)methyl]oxamide has a molecular weight of 382.87 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-N-[(4-methoxyphenyl)methyl]oxamide is sourced from PubChem (CID 121180341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).