2,5-dichloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide

C15H15Cl2NO2S — CID 90598394

IUPAC2,5-dichloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide
SMILESCOC(CNC(=O)c1cc(Cl)ccc1Cl)c1ccc(C)s1
InChIInChI=1S/C15H15Cl2NO2S/c1-9-3-6-14(21-9)13(20-2)8-18-15(19)11-7-10(16)4-5-12(11)17/h3-7,13H,8H2,1-2H3,(H,18,19)
InChIKeyOBMROESNSBBQIJ-UHFFFAOYSA-N
MW344.26 g/mol
LogP4.48
Rot. Bonds5

About 2,5-dichloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide

2,5-dichloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide (PubChem CID 90598394) has the molecular formula C15H15Cl2NO2S and a molecular weight of 344.26 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide
PubChem CID90598394
Molecular FormulaC15H15Cl2NO2S
Molecular Weight344.26 g/mol
Exact Mass343.02
IUPAC Name2,5-dichloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide
SMILESCOC(CNC(=O)c1cc(Cl)ccc1Cl)c1ccc(C)s1
InChIInChI=1S/C15H15Cl2NO2S/c1-9-3-6-14(21-9)13(20-2)8-18-15(19)11-7-10(16)4-5-12(11)17/h3-7,13H,8H2,1-2H3,(H,18,19)
InChIKeyOBMROESNSBBQIJ-UHFFFAOYSA-N
XLogP4.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.26
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-methoxy-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide
CID 90598388
5-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-methoxybenzamide
CID 121180146
5-chloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 90598345
5-bromo-2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]benzamide
CID 121180187
1-(5-chloro-2-methoxyphenyl)-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
CID 71810446
1-[(4-chlorophenyl)methyl]-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
CID 71810443
1-(3-chlorophenyl)-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
CID 90598641
2,5-dichloro-N-(2-methoxypropyl)benzamide
CID 101005301
2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-5-nitrobenzamide
CID 121180166
3-fluoro-4-methoxy-N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide
CID 97417485
N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]furan-2-carboxamide
CID 97417363
2,5-dichloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzamide
CID 90622974

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide?
The IUPAC name of 2,5-dichloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide (CID 90598394) is 2,5-dichloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide is COC(CNC(=O)c1cc(Cl)ccc1Cl)c1ccc(C)s1.
What is the InChIKey of 2,5-dichloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide?
The InChIKey is OBMROESNSBBQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2S/c1-9-3-6-14(21-9)13(20-2)8-18-15(19)11-7-10(16)4-5-12(11)17/h3-7,13H,8H2,1-2H3,(H,18,19).
What are the key properties of 2,5-dichloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide?
2,5-dichloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide has a molecular weight of 344.26 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide is sourced from PubChem (CID 90598394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).