N-(5-chloro-2,4-dimethoxyphenyl)-2-thiophen-2-ylacetamide

C14H14ClNO3S — CID 803021

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-2-thiophen-2-ylacetamide
SMILESCOc1cc(OC)c(NC(=O)Cc2cccs2)cc1Cl
InChIInChI=1S/C14H14ClNO3S/c1-18-12-8-13(19-2)11(7-10(12)15)16-14(17)6-9-4-3-5-20-9/h3-5,7-8H,6H2,1-2H3,(H,16,17)
InChIKeySQOPDKUJMANOTR-UHFFFAOYSA-N
MW311.79 g/mol
LogP3.60
Rot. Bonds5

About N-(5-chloro-2,4-dimethoxyphenyl)-2-thiophen-2-ylacetamide

N-(5-chloro-2,4-dimethoxyphenyl)-2-thiophen-2-ylacetamide (PubChem CID 803021) has the molecular formula C14H14ClNO3S and a molecular weight of 311.79 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-2-thiophen-2-ylacetamide
PubChem CID803021
Molecular FormulaC14H14ClNO3S
Molecular Weight311.79 g/mol
Exact Mass311.04
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-2-thiophen-2-ylacetamide
SMILESCOc1cc(OC)c(NC(=O)Cc2cccs2)cc1Cl
InChIInChI=1S/C14H14ClNO3S/c1-18-12-8-13(19-2)11(7-10(12)15)16-14(17)6-9-4-3-5-20-9/h3-5,7-8H,6H2,1-2H3,(H,16,17)
InChIKeySQOPDKUJMANOTR-UHFFFAOYSA-N
XLogP3.60
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)-5-methylthiophene-3-carboxamide
CID 1247197
N-(2,4-Dimethoxyphenyl)-2-thiophenecarboxamide
CID 710671
N-(3-chloro-4-propoxyphenyl)thiophene-2-carboxamide
CID 44535683
N-(3-chloro-4-methoxyphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 2388217
N-(2,4-dimethoxyphenyl)-2-thiophen-3-ylacetamide
CID 9264592
N-(2,4-dimethoxyphenyl)-2-thiophen-2-ylacetamide
CID 669813
2-[(5-Chloro-2-methoxyphenyl)amino]-2-oxoethyl thiophen-2-ylacetate
CID 7890955
[2-(3-Chloro-4-methoxyanilino)-2-oxoethyl] 2-thiophen-2-ylacetate
CID 7799214
1-(5-Chloro-2,4-dimethoxyphenyl)-3-propyl-3-[(thiophen-2-YL)methyl]urea
CID 16016712
N-(5-chloro-2-methoxyphenyl)thiophene-2-carboxamide
CID 668921
N-(3-chloro-4-methoxyphenyl)-2-(2-thienyl)acetamide
CID 762690
N-(3-chloro-2-methoxyphenyl)thiophene-2-carboxamide
CID 802968

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-thiophen-2-ylacetamide (CID 803021) is N-(5-chloro-2,4-dimethoxyphenyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-2-thiophen-2-ylacetamide is COc1cc(OC)c(NC(=O)Cc2cccs2)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-2-thiophen-2-ylacetamide?
The InChIKey is SQOPDKUJMANOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3S/c1-18-12-8-13(19-2)11(7-10(12)15)16-14(17)6-9-4-3-5-20-9/h3-5,7-8H,6H2,1-2H3,(H,16,17).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-2-thiophen-2-ylacetamide?
N-(5-chloro-2,4-dimethoxyphenyl)-2-thiophen-2-ylacetamide has a molecular weight of 311.79 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 803021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).