2-(4-ethoxyphenyl)-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide

C23H25NO5S2 — CID 26792473

IUPAC2-(4-ethoxyphenyl)-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide
SMILESCCOc1ccc(CC(=O)NC[C@@H](c2cccs2)S(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H25NO5S2/c1-3-29-19-8-6-17(7-9-19)15-23(25)24-16-22(21-5-4-14-30-21)31(26,27)20-12-10-18(28-2)11-13-20/h4-14,22H,3,15-16H2,1-2H3,(H,24,25)/t22-/m0/s1
InChIKeyZQQLDPPPHAZWIG-QFIPXVFZSA-N
MW459.59 g/mol
LogP4.03
Rot. Bonds10

About 2-(4-ethoxyphenyl)-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide

2-(4-ethoxyphenyl)-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide (PubChem CID 26792473) has the molecular formula C23H25NO5S2 and a molecular weight of 459.59 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide
PubChem CID26792473
Molecular FormulaC23H25NO5S2
Molecular Weight459.59 g/mol
Exact Mass459.12
IUPAC Name2-(4-ethoxyphenyl)-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide
SMILESCCOc1ccc(CC(=O)NC[C@@H](c2cccs2)S(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H25NO5S2/c1-3-29-19-8-6-17(7-9-19)15-23(25)24-16-22(21-5-4-14-30-21)31(26,27)20-12-10-18(28-2)11-13-20/h4-14,22H,3,15-16H2,1-2H3,(H,24,25)/t22-/m0/s1
InChIKeyZQQLDPPPHAZWIG-QFIPXVFZSA-N
XLogP4.03
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenyl)-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)acetamide
CID 22584107
N-[2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylethyl]-2-(4-methylphenoxy)acetamide
CID 20962834
ethyl 2-[[2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylethyl]amino]-2-oxoacetate
CID 110315195
N'-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-[(4-methoxyphenyl)methyl]oxamide
CID 40775014
2-(4-chlorophenyl)-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide
CID 40774735
N-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylethyl]cyclopropanecarboxamide
CID 26792423
N-[2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylethyl]-3-methylbenzamide
CID 43981238
N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 40775017
N-[2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylethyl]-3-(trifluoromethyl)benzamide
CID 20962805
2-phenyl-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)acetamide
CID 110315182
4-methoxy-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 18574221
4-methoxy-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 41193508

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide (CID 26792473) is 2-(4-ethoxyphenyl)-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide is CCOc1ccc(CC(=O)NC[C@@H](c2cccs2)S(=O)(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide?
The InChIKey is ZQQLDPPPHAZWIG-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H25NO5S2/c1-3-29-19-8-6-17(7-9-19)15-23(25)24-16-22(21-5-4-14-30-21)31(26,27)20-12-10-18(28-2)11-13-20/h4-14,22H,3,15-16H2,1-2H3,(H,24,25)/t22-/m0/s1.
What are the key properties of 2-(4-ethoxyphenyl)-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide?
2-(4-ethoxyphenyl)-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide has a molecular weight of 459.59 g/mol, XLogP of 4.03, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 26792473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).