N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide

C16H17ClN2O3S — CID 24981790

IUPACN-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)C(=O)Cc1ccsc1
InChIInChI=1S/C16H17ClN2O3S/c1-19(16(21)7-11-5-6-23-10-11)9-15(20)18-13-8-12(17)3-4-14(13)22-2/h3-6,8,10H,7,9H2,1-2H3,(H,18,20)
InChIKeyYQSBJUPLZUUIRI-UHFFFAOYSA-N
MW352.84 g/mol
LogP3.05
Rot. Bonds6

About N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide

N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide (PubChem CID 24981790) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide
PubChem CID24981790
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC NameN-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)C(=O)Cc1ccsc1
InChIInChI=1S/C16H17ClN2O3S/c1-19(16(21)7-11-5-6-23-10-11)9-15(20)18-13-8-12(17)3-4-14(13)22-2/h3-6,8,10H,7,9H2,1-2H3,(H,18,20)
InChIKeyYQSBJUPLZUUIRI-UHFFFAOYSA-N
XLogP3.05
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 8965468
N-(5-chloro-2-methoxyphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 8965785
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide
CID 9438703
N-(2-methoxyphenyl)-2-thiophen-3-ylacetamide
CID 16234675
Thiophene-3-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide
CID 9999428
3-Methyl-thiophene-2-carboxylic acid {2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-ethyl}-amide
CID 10021391
N-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-2-thiophen-3-yl-acetamide
CID 10247900
3-Chloro-thiophene-2-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide
CID 10364070
3-Methyl-thiophene-2-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide
CID 10407915
N-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-2-thiophen-3-yl-acetamide
CID 10475338
N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl}thiophene-3-carboxamide
CID 11725128
N-(3-chloro-4-methoxyphenyl)-N-[2-oxo-2-(2-phenylethylamino)-1-thiophen-2-ylethyl]prop-2-ynamide
CID 162672277

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide?
The IUPAC name of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide (CID 24981790) is N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide is COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)Cc1ccsc1.
What is the InChIKey of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide?
The InChIKey is YQSBJUPLZUUIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-19(16(21)7-11-5-6-23-10-11)9-15(20)18-13-8-12(17)3-4-14(13)22-2/h3-6,8,10H,7,9H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide?
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide has a molecular weight of 352.84 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide is sourced from PubChem (CID 24981790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).