N-(4-chloro-2-methoxy-5-methylphenyl)-2-thiophen-2-ylacetamide

C14H14ClNO2S — CID 803801

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-thiophen-2-ylacetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)Cc1cccs1
InChIInChI=1S/C14H14ClNO2S/c1-9-6-12(13(18-2)8-11(9)15)16-14(17)7-10-4-3-5-19-10/h3-6,8H,7H2,1-2H3,(H,16,17)
InChIKeyQEQXJMLNYQDUTE-UHFFFAOYSA-N
MW295.79 g/mol
LogP3.90
Rot. Bonds4

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-thiophen-2-ylacetamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-thiophen-2-ylacetamide (PubChem CID 803801) has the molecular formula C14H14ClNO2S and a molecular weight of 295.79 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-thiophen-2-ylacetamide
PubChem CID803801
Molecular FormulaC14H14ClNO2S
Molecular Weight295.79 g/mol
Exact Mass295.04
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-thiophen-2-ylacetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)Cc1cccs1
InChIInChI=1S/C14H14ClNO2S/c1-9-6-12(13(18-2)8-11(9)15)16-14(17)7-10-4-3-5-19-10/h3-6,8H,7H2,1-2H3,(H,16,17)
InChIKeyQEQXJMLNYQDUTE-UHFFFAOYSA-N
XLogP3.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyphenyl)-2-thiophen-3-ylacetamide
CID 16234675
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 974707
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,5-dichlorophenyl)sulfanylacetamide
CID 2353094
N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylsulfonylbenzamide
CID 2540194
(2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 2559010
N-(4-chloro-2-methoxy-5-methylphenyl)-5-nitrothiophene-2-carboxamide
CID 4792080
N-(5-chloro-2-methoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide
CID 7217414
2-(4-chlorophenyl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 894454
N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylsulfanylacetamide
CID 734363
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(phenylthio)acetamide
CID 895197
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(cyanomethyl)sulfanyl]acetamide
CID 1642477
2-(4-acetamidophenyl)sulfanyl-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 2540390

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-thiophen-2-ylacetamide (CID 803801) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-thiophen-2-ylacetamide is COc1cc(Cl)c(C)cc1NC(=O)Cc1cccs1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-thiophen-2-ylacetamide?
The InChIKey is QEQXJMLNYQDUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S/c1-9-6-12(13(18-2)8-11(9)15)16-14(17)7-10-4-3-5-19-10/h3-6,8H,7H2,1-2H3,(H,16,17).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-thiophen-2-ylacetamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-thiophen-2-ylacetamide has a molecular weight of 295.79 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 803801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).