N-[(5-chlorothiophen-2-yl)methyl]-2-(2-ethoxy-4-formylphenoxy)-N-methylacetamide

C17H18ClNO4S — CID 55358144

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-(2-ethoxy-4-formylphenoxy)-N-methylacetamide
SMILESCCOc1cc(C=O)ccc1OCC(=O)N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C17H18ClNO4S/c1-3-22-15-8-12(10-20)4-6-14(15)23-11-17(21)19(2)9-13-5-7-16(18)24-13/h4-8,10H,3,9,11H2,1-2H3
InChIKeyDMNXGESIUJCTOD-UHFFFAOYSA-N
MW367.85 g/mol
LogP3.65
Rot. Bonds8

About N-[(5-chlorothiophen-2-yl)methyl]-2-(2-ethoxy-4-formylphenoxy)-N-methylacetamide

N-[(5-chlorothiophen-2-yl)methyl]-2-(2-ethoxy-4-formylphenoxy)-N-methylacetamide (PubChem CID 55358144) has the molecular formula C17H18ClNO4S and a molecular weight of 367.85 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-(2-ethoxy-4-formylphenoxy)-N-methylacetamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-(2-ethoxy-4-formylphenoxy)-N-methylacetamide
PubChem CID55358144
Molecular FormulaC17H18ClNO4S
Molecular Weight367.85 g/mol
Exact Mass367.06
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-(2-ethoxy-4-formylphenoxy)-N-methylacetamide
SMILESCCOc1cc(C=O)ccc1OCC(=O)N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C17H18ClNO4S/c1-3-22-15-8-12(10-20)4-6-14(15)23-11-17(21)19(2)9-13-5-7-16(18)24-13/h4-8,10H,3,9,11H2,1-2H3
InChIKeyDMNXGESIUJCTOD-UHFFFAOYSA-N
XLogP3.65
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.85
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(4-methylphenoxy)acetamide
CID 78791448
N-[(5-chlorothiophen-2-yl)methyl]-2-(5-formyl-2-methoxyphenoxy)acetamide
CID 78899642
2-[4-[(5-chlorothiophen-2-yl)methyl-ethylcarbamoyl]-2-ethoxyphenoxy]acetic acid
CID 119179644
N-[(5-chlorothiophen-2-yl)methyl]-3-(2-ethoxyphenyl)-N-methylpropanamide
CID 134061130
3-ethoxy-4-(2-methylprop-2-enoxy)benzaldehyde
CID 22343686
N-[(5-chlorothiophen-2-yl)methyl]-2-(4-cyanophenoxy)-N-methylacetamide
CID 9107496
2-(2-ethoxy-4-formylphenoxy)-N-ethylacetamide
CID 2110936
3-(2-ethoxy-4-formylphenoxy)propanoic acid
CID 28701161
N-(4-chlorophenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide
CID 1156887
N-[(5-bromothiophen-2-yl)methyl]-2-(2,4-dichlorophenoxy)-N-methylacetamide
CID 55360454
ethyl 2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethyl]-methylamino]acetate
CID 62011016
2-(2-ethoxy-4-formylphenoxy)-N-(2-methoxyethyl)acetamide
CID 35721007

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-(2-ethoxy-4-formylphenoxy)-N-methylacetamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-(2-ethoxy-4-formylphenoxy)-N-methylacetamide (CID 55358144) is N-[(5-chlorothiophen-2-yl)methyl]-2-(2-ethoxy-4-formylphenoxy)-N-methylacetamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-(2-ethoxy-4-formylphenoxy)-N-methylacetamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-(2-ethoxy-4-formylphenoxy)-N-methylacetamide is CCOc1cc(C=O)ccc1OCC(=O)N(C)Cc1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-(2-ethoxy-4-formylphenoxy)-N-methylacetamide?
The InChIKey is DMNXGESIUJCTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO4S/c1-3-22-15-8-12(10-20)4-6-14(15)23-11-17(21)19(2)9-13-5-7-16(18)24-13/h4-8,10H,3,9,11H2,1-2H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-(2-ethoxy-4-formylphenoxy)-N-methylacetamide?
N-[(5-chlorothiophen-2-yl)methyl]-2-(2-ethoxy-4-formylphenoxy)-N-methylacetamide has a molecular weight of 367.85 g/mol, XLogP of 3.65, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-(2-ethoxy-4-formylphenoxy)-N-methylacetamide is sourced from PubChem (CID 55358144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).