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

C22H30N2O6S2 — CID 24980496

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
SMILESCCOc1ccc(CCNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1OCC
InChIInChI=1S/C22H30N2O6S2/c1-3-29-19-7-5-17(15-20(19)30-4-2)9-10-23-21(25)16-18-6-8-22(31-18)32(26,27)24-11-13-28-14-12-24/h5-8,15H,3-4,9-14,16H2,1-2H3,(H,23,25)
InChIKeyOYFBOMDRELNMIC-UHFFFAOYSA-N
MW482.62 g/mol
LogP2.47
Rot. Bonds11

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

N-[2-(3,4-diethoxyphenyl)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide (PubChem CID 24980496) has the molecular formula C22H30N2O6S2 and a molecular weight of 482.62 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
PubChem CID24980496
Molecular FormulaC22H30N2O6S2
Molecular Weight482.62 g/mol
Exact Mass482.15
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
SMILESCCOc1ccc(CCNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1OCC
InChIInChI=1S/C22H30N2O6S2/c1-3-29-19-7-5-17(15-20(19)30-4-2)9-10-23-21(25)16-18-6-8-22(31-18)32(26,27)24-11-13-28-14-12-24/h5-8,15H,3-4,9-14,16H2,1-2H3,(H,23,25)
InChIKeyOYFBOMDRELNMIC-UHFFFAOYSA-N
XLogP2.47
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.62
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide (CID 24980496) is N-[2-(3,4-diethoxyphenyl)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide is CCOc1ccc(CCNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The InChIKey is OYFBOMDRELNMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O6S2/c1-3-29-19-7-5-17(15-20(19)30-4-2)9-10-23-21(25)16-18-6-8-22(31-18)32(26,27)24-11-13-28-14-12-24/h5-8,15H,3-4,9-14,16H2,1-2H3,(H,23,25).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide has a molecular weight of 482.62 g/mol, XLogP of 2.47, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyphenyl)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide is sourced from PubChem (CID 24980496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).