N-(3,4-diethoxyphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide

C20H26N2O6S2 — CID 24818113

IUPACN-(3,4-diethoxyphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
SMILESCCOc1ccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1OCC
InChIInChI=1S/C20H26N2O6S2/c1-3-27-17-7-5-15(13-18(17)28-4-2)21-19(23)14-16-6-8-20(29-16)30(24,25)22-9-11-26-12-10-22/h5-8,13H,3-4,9-12,14H2,1-2H3,(H,21,23)
InChIKeySVPLIXCMOBNFNH-UHFFFAOYSA-N
MW454.57 g/mol
LogP2.75
Rot. Bonds9

About N-(3,4-diethoxyphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide

N-(3,4-diethoxyphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide (PubChem CID 24818113) has the molecular formula C20H26N2O6S2 and a molecular weight of 454.57 g/mol. Its IUPAC name is N-(3,4-diethoxyphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-diethoxyphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
PubChem CID24818113
Molecular FormulaC20H26N2O6S2
Molecular Weight454.57 g/mol
Exact Mass454.12
IUPAC NameN-(3,4-diethoxyphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
SMILESCCOc1ccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1OCC
InChIInChI=1S/C20H26N2O6S2/c1-3-27-17-7-5-15(13-18(17)28-4-2)21-19(23)14-16-6-8-20(29-16)30(24,25)22-9-11-26-12-10-22/h5-8,13H,3-4,9-12,14H2,1-2H3,(H,21,23)
InChIKeySVPLIXCMOBNFNH-UHFFFAOYSA-N
XLogP2.75
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-diethoxyphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The IUPAC name of N-(3,4-diethoxyphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide (CID 24818113) is N-(3,4-diethoxyphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide.
What is the SMILES notation for N-(3,4-diethoxyphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The canonical SMILES for N-(3,4-diethoxyphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide is CCOc1ccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1OCC.
What is the InChIKey of N-(3,4-diethoxyphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The InChIKey is SVPLIXCMOBNFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O6S2/c1-3-27-17-7-5-15(13-18(17)28-4-2)21-19(23)14-16-6-8-20(29-16)30(24,25)22-9-11-26-12-10-22/h5-8,13H,3-4,9-12,14H2,1-2H3,(H,21,23).
What are the key properties of N-(3,4-diethoxyphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
N-(3,4-diethoxyphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide has a molecular weight of 454.57 g/mol, XLogP of 2.75, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diethoxyphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide is sourced from PubChem (CID 24818113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).