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

C18H15Cl2NO3S2 — CID 73167871

IUPAC2-(2,4-dichlorophenoxy)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NCc1ccc(C(O)c2ccsc2)s1
InChIInChI=1S/C18H15Cl2NO3S2/c19-12-1-3-15(14(20)7-12)24-9-17(22)21-8-13-2-4-16(26-13)18(23)11-5-6-25-10-11/h1-7,10,18,23H,8-9H2,(H,21,22)
InChIKeyBJCBESKRGVOUSQ-UHFFFAOYSA-N
MW428.36 g/mol
LogP4.89
Rot. Bonds7

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

2-(2,4-dichlorophenoxy)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide (PubChem CID 73167871) has the molecular formula C18H15Cl2NO3S2 and a molecular weight of 428.36 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide
PubChem CID73167871
Molecular FormulaC18H15Cl2NO3S2
Molecular Weight428.36 g/mol
Exact Mass426.99
IUPAC Name2-(2,4-dichlorophenoxy)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NCc1ccc(C(O)c2ccsc2)s1
InChIInChI=1S/C18H15Cl2NO3S2/c19-12-1-3-15(14(20)7-12)24-9-17(22)21-8-13-2-4-16(26-13)18(23)11-5-6-25-10-11/h1-7,10,18,23H,8-9H2,(H,21,22)
InChIKeyBJCBESKRGVOUSQ-UHFFFAOYSA-N
XLogP4.89
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.36
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[thiophen-2-yl(thiophen-3-yl)methyl]acetamide
CID 121021409
2-chloro-4-fluoro-N-[[5-[(S)-hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]benzamide
CID 99882670
2-benzylsulfanyl-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide
CID 121133787
N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 121134172
N'-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-N-[(2-methoxyphenyl)methyl]oxamide
CID 121133990
N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide
CID 110718005
2-(2,4-dichlorophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 47290674
2-(2,4-dichlorophenoxy)-N-[(3,4-diethoxyphenyl)methyl]acetamide
CID 99993644
2,5-difluoro-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide
CID 121133885
N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-N'-(1-phenylethyl)oxamide
CID 121133968
2-(2,4-dichlorophenoxy)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103726307
2-(2,4-dichlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102915108

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide (CID 73167871) is 2-(2,4-dichlorophenoxy)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide is O=C(COc1ccc(Cl)cc1Cl)NCc1ccc(C(O)c2ccsc2)s1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide?
The InChIKey is BJCBESKRGVOUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2NO3S2/c19-12-1-3-15(14(20)7-12)24-9-17(22)21-8-13-2-4-16(26-13)18(23)11-5-6-25-10-11/h1-7,10,18,23H,8-9H2,(H,21,22).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide?
2-(2,4-dichlorophenoxy)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide has a molecular weight of 428.36 g/mol, XLogP of 4.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 73167871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).