2-(4-methoxyphenyl)-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)acetamide

C19H19NO4S3 — CID 22584107

IUPAC2-(4-methoxyphenyl)-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)acetamide
SMILESCOc1ccc(CC(=O)NCC(c2cccs2)S(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C19H19NO4S3/c1-24-15-8-6-14(7-9-15)12-18(21)20-13-17(16-4-2-10-25-16)27(22,23)19-5-3-11-26-19/h2-11,17H,12-13H2,1H3,(H,20,21)
InChIKeyVJZYBQXVSVBMMG-UHFFFAOYSA-N
MW421.57 g/mol
LogP3.69
Rot. Bonds8

About 2-(4-methoxyphenyl)-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)acetamide

2-(4-methoxyphenyl)-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)acetamide (PubChem CID 22584107) has the molecular formula C19H19NO4S3 and a molecular weight of 421.57 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)acetamide
PubChem CID22584107
Molecular FormulaC19H19NO4S3
Molecular Weight421.57 g/mol
Exact Mass421.05
IUPAC Name2-(4-methoxyphenyl)-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)acetamide
SMILESCOc1ccc(CC(=O)NCC(c2cccs2)S(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C19H19NO4S3/c1-24-15-8-6-14(7-9-15)12-18(21)20-13-17(16-4-2-10-25-16)27(22,23)19-5-3-11-26-19/h2-11,17H,12-13H2,1H3,(H,20,21)
InChIKeyVJZYBQXVSVBMMG-UHFFFAOYSA-N
XLogP3.69
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenyl-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)acetamide
CID 110315182
2-(4-ethoxyphenyl)-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide
CID 26792473
2-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]acetamide
CID 9183001
N-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]butanamide
CID 9182900
N-[2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylethyl]-2-(4-methylphenoxy)acetamide
CID 20962834
N-[(2R)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 35042423
2-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 51179491
N-propyl-N'-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)oxamide
CID 22584108
N'-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-[(4-methoxyphenyl)methyl]oxamide
CID 40775014
1-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]-3-propylurea
CID 9183165
2-(4-chlorophenyl)-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide
CID 40774735
N-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]cyclopropanecarboxamide
CID 9182921

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)acetamide (CID 22584107) is 2-(4-methoxyphenyl)-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)acetamide is COc1ccc(CC(=O)NCC(c2cccs2)S(=O)(=O)c2cccs2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)acetamide?
The InChIKey is VJZYBQXVSVBMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4S3/c1-24-15-8-6-14(7-9-15)12-18(21)20-13-17(16-4-2-10-25-16)27(22,23)19-5-3-11-26-19/h2-11,17H,12-13H2,1H3,(H,20,21).
What are the key properties of 2-(4-methoxyphenyl)-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)acetamide?
2-(4-methoxyphenyl)-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)acetamide has a molecular weight of 421.57 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)acetamide is sourced from PubChem (CID 22584107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).