N-[[5-[2-(3,4-dichlorophenoxy)acetyl]thiophen-2-yl]methyl]acetamide

C15H13Cl2NO3S — CID 8509645

IUPACN-[[5-[2-(3,4-dichlorophenoxy)acetyl]thiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C(=O)COc2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C15H13Cl2NO3S/c1-9(19)18-7-11-3-5-15(22-11)14(20)8-21-10-2-4-12(16)13(17)6-10/h2-6H,7-8H2,1H3,(H,18,19)
InChIKeyRRVTVMBEDFXASF-UHFFFAOYSA-N
MW358.25 g/mol
LogP3.95
Rot. Bonds6

About N-[[5-[2-(3,4-dichlorophenoxy)acetyl]thiophen-2-yl]methyl]acetamide

N-[[5-[2-(3,4-dichlorophenoxy)acetyl]thiophen-2-yl]methyl]acetamide (PubChem CID 8509645) has the molecular formula C15H13Cl2NO3S and a molecular weight of 358.25 g/mol. Its IUPAC name is N-[[5-[2-(3,4-dichlorophenoxy)acetyl]thiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[2-(3,4-dichlorophenoxy)acetyl]thiophen-2-yl]methyl]acetamide
PubChem CID8509645
Molecular FormulaC15H13Cl2NO3S
Molecular Weight358.25 g/mol
Exact Mass357.00
IUPAC NameN-[[5-[2-(3,4-dichlorophenoxy)acetyl]thiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C(=O)COc2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C15H13Cl2NO3S/c1-9(19)18-7-11-3-5-15(22-11)14(20)8-21-10-2-4-12(16)13(17)6-10/h2-6H,7-8H2,1H3,(H,18,19)
InChIKeyRRVTVMBEDFXASF-UHFFFAOYSA-N
XLogP3.95
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.25
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[2-(2-chloro-5-methylphenoxy)acetyl]thiophen-2-yl]methyl]acetamide
CID 78800846
N-[[5-[2-[4-(benzenesulfonyl)phenoxy]acetyl]thiophen-2-yl]methyl]acetamide
CID 55764758
N-[2-(3,4-dichlorophenoxy)ethyl]acetamide
CID 51066305
[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 8521825
N-[[5-[2-(5-fluoro-2-nitrophenoxy)acetyl]thiophen-2-yl]methyl]acetamide
CID 8520584
[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] thiophene-2-carboxylate
CID 8510072
N-[[5-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]thiophen-2-yl]methyl]acetamide
CID 8520547
[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 8514669
[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 4-chloro-2-nitrobenzoate
CID 31982134
N-[2-[5-[2-(3-methylsulfonylphenoxy)acetyl]thiophen-2-yl]ethyl]acetamide
CID 55733106
[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 8520271
[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 8521287

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-(3,4-dichlorophenoxy)acetyl]thiophen-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[2-(3,4-dichlorophenoxy)acetyl]thiophen-2-yl]methyl]acetamide (CID 8509645) is N-[[5-[2-(3,4-dichlorophenoxy)acetyl]thiophen-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[2-(3,4-dichlorophenoxy)acetyl]thiophen-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[2-(3,4-dichlorophenoxy)acetyl]thiophen-2-yl]methyl]acetamide is CC(=O)NCc1ccc(C(=O)COc2ccc(Cl)c(Cl)c2)s1.
What is the InChIKey of N-[[5-[2-(3,4-dichlorophenoxy)acetyl]thiophen-2-yl]methyl]acetamide?
The InChIKey is RRVTVMBEDFXASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO3S/c1-9(19)18-7-11-3-5-15(22-11)14(20)8-21-10-2-4-12(16)13(17)6-10/h2-6H,7-8H2,1H3,(H,18,19).
What are the key properties of N-[[5-[2-(3,4-dichlorophenoxy)acetyl]thiophen-2-yl]methyl]acetamide?
N-[[5-[2-(3,4-dichlorophenoxy)acetyl]thiophen-2-yl]methyl]acetamide has a molecular weight of 358.25 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-(3,4-dichlorophenoxy)acetyl]thiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 8509645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).