N-[(5-chlorothiophen-2-yl)methyl]-2-(5-formyl-2-methoxyphenoxy)acetamide

C15H14ClNO4S — CID 78899642

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-(5-formyl-2-methoxyphenoxy)acetamide
SMILESCOc1ccc(C=O)cc1OCC(=O)NCc1ccc(Cl)s1
InChIInChI=1S/C15H14ClNO4S/c1-20-12-4-2-10(8-18)6-13(12)21-9-15(19)17-7-11-3-5-14(16)22-11/h2-6,8H,7,9H2,1H3,(H,17,19)
InChIKeyAMVDLQZQCMCIJN-UHFFFAOYSA-N
MW339.80 g/mol
LogP2.92
Rot. Bonds7

About N-[(5-chlorothiophen-2-yl)methyl]-2-(5-formyl-2-methoxyphenoxy)acetamide

N-[(5-chlorothiophen-2-yl)methyl]-2-(5-formyl-2-methoxyphenoxy)acetamide (PubChem CID 78899642) has the molecular formula C15H14ClNO4S and a molecular weight of 339.80 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-(5-formyl-2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-(5-formyl-2-methoxyphenoxy)acetamide
PubChem CID78899642
Molecular FormulaC15H14ClNO4S
Molecular Weight339.80 g/mol
Exact Mass339.03
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-(5-formyl-2-methoxyphenoxy)acetamide
SMILESCOc1ccc(C=O)cc1OCC(=O)NCc1ccc(Cl)s1
InChIInChI=1S/C15H14ClNO4S/c1-20-12-4-2-10(8-18)6-13(12)21-9-15(19)17-7-11-3-5-14(16)22-11/h2-6,8H,7,9H2,1H3,(H,17,19)
InChIKeyAMVDLQZQCMCIJN-UHFFFAOYSA-N
XLogP2.92
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-formyl-2-methoxyphenoxy)acetamide
CID 7611948
2-(5-formyl-2-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)acetamide
CID 7611792
2-(2-ethoxy-4-formylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 36545646
N-carbamoyl-2-(4-formyl-2-methoxyphenoxy)acetamide
CID 24694058
N-[(5-chlorothiophen-2-yl)methyl]-2-(2-ethoxy-4-formylphenoxy)-N-methylacetamide
CID 55358144
2-(5-formyl-2-methoxyphenoxy)-N-phenylacetamide
CID 7611771
N-(3-chloro-4-methylphenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide
CID 7611638
2-(5-chlorothiophen-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 110767682
N-(3-chloro-2-methylphenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide
CID 28913395
N-(3-chloro-4-fluorophenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide
CID 7611560
2-[[2-(4-formyl-2-methoxyphenoxy)acetyl]amino]-N,N-dimethylacetamide
CID 9480867
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-(5-formyl-2-methoxyphenoxy)acetamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-(5-formyl-2-methoxyphenoxy)acetamide (CID 78899642) is N-[(5-chlorothiophen-2-yl)methyl]-2-(5-formyl-2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-(5-formyl-2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-(5-formyl-2-methoxyphenoxy)acetamide is COc1ccc(C=O)cc1OCC(=O)NCc1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-(5-formyl-2-methoxyphenoxy)acetamide?
The InChIKey is AMVDLQZQCMCIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4S/c1-20-12-4-2-10(8-18)6-13(12)21-9-15(19)17-7-11-3-5-14(16)22-11/h2-6,8H,7,9H2,1H3,(H,17,19).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-(5-formyl-2-methoxyphenoxy)acetamide?
N-[(5-chlorothiophen-2-yl)methyl]-2-(5-formyl-2-methoxyphenoxy)acetamide has a molecular weight of 339.80 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-(5-formyl-2-methoxyphenoxy)acetamide is sourced from PubChem (CID 78899642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).