N-[2-(2-chlorophenyl)-2-methoxyethyl]-4-methylthiophene-2-carboxamide

C15H16ClNO2S — CID 90623686

IUPACN-[2-(2-chlorophenyl)-2-methoxyethyl]-4-methylthiophene-2-carboxamide
SMILESCOC(CNC(=O)c1cc(C)cs1)c1ccccc1Cl
InChIInChI=1S/C15H16ClNO2S/c1-10-7-14(20-9-10)15(18)17-8-13(19-2)11-5-3-4-6-12(11)16/h3-7,9,13H,8H2,1-2H3,(H,17,18)
InChIKeyUNHFMKQCDYWSME-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.83
Rot. Bonds5

About N-[2-(2-chlorophenyl)-2-methoxyethyl]-4-methylthiophene-2-carboxamide

N-[2-(2-chlorophenyl)-2-methoxyethyl]-4-methylthiophene-2-carboxamide (PubChem CID 90623686) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-methoxyethyl]-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-methoxyethyl]-4-methylthiophene-2-carboxamide
PubChem CID90623686
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC NameN-[2-(2-chlorophenyl)-2-methoxyethyl]-4-methylthiophene-2-carboxamide
SMILESCOC(CNC(=O)c1cc(C)cs1)c1ccccc1Cl
InChIInChI=1S/C15H16ClNO2S/c1-10-7-14(20-9-10)15(18)17-8-13(19-2)11-5-3-4-6-12(11)16/h3-7,9,13H,8H2,1-2H3,(H,17,18)
InChIKeyUNHFMKQCDYWSME-UHFFFAOYSA-N
XLogP3.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(2-chlorophenyl)-2-methoxyethyl]-4-methylthiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]thiophene-2-carboxamide
CID 99876156
N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]thiophene-2-carboxamide
CID 99593692
N-[2-(2-chlorophenyl)-2-methoxyethyl]propanamide
CID 90623661
N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-(2,5-dimethylphenyl)oxamide
CID 90623953
N-[2-(2-chlorophenyl)-2-methoxyethyl]-3-methyl-4-nitrobenzamide
CID 90623742
N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-methylsulfanylbenzamide
CID 90623724
N'-[2-(2-chlorophenyl)-2-methoxyethyl]-N-[(4-methylphenyl)methyl]oxamide
CID 90623943
N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-2-naphthalen-1-ylacetamide
CID 99876133
N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-nitrobenzamide
CID 90623723
N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-ethylsulfanylbenzamide
CID 90623752
1-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-3-(thiophen-2-ylmethyl)urea
CID 99601536
N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 90623769

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-methoxyethyl]-4-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-methoxyethyl]-4-methylthiophene-2-carboxamide (CID 90623686) is N-[2-(2-chlorophenyl)-2-methoxyethyl]-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-methoxyethyl]-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-methoxyethyl]-4-methylthiophene-2-carboxamide is COC(CNC(=O)c1cc(C)cs1)c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-methoxyethyl]-4-methylthiophene-2-carboxamide?
The InChIKey is UNHFMKQCDYWSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c1-10-7-14(20-9-10)15(18)17-8-13(19-2)11-5-3-4-6-12(11)16/h3-7,9,13H,8H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(2-chlorophenyl)-2-methoxyethyl]-4-methylthiophene-2-carboxamide?
N-[2-(2-chlorophenyl)-2-methoxyethyl]-4-methylthiophene-2-carboxamide has a molecular weight of 309.82 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-methoxyethyl]-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 90623686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).