N-[(3-methoxyphenyl)methyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide

C18H22N2O5S2 — CID 24979495

IUPACN-[(3-methoxyphenyl)methyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
SMILESCOc1cccc(CNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)c1
InChIInChI=1S/C18H22N2O5S2/c1-24-15-4-2-3-14(11-15)13-19-17(21)12-16-5-6-18(26-16)27(22,23)20-7-9-25-10-8-20/h2-6,11H,7-10,12-13H2,1H3,(H,19,21)
InChIKeyJLOSCWLUDFQFEH-UHFFFAOYSA-N
MW410.52 g/mol
LogP1.64
Rot. Bonds7

About N-[(3-methoxyphenyl)methyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide

N-[(3-methoxyphenyl)methyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide (PubChem CID 24979495) has the molecular formula C18H22N2O5S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
PubChem CID24979495
Molecular FormulaC18H22N2O5S2
Molecular Weight410.52 g/mol
Exact Mass410.10
IUPAC NameN-[(3-methoxyphenyl)methyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
SMILESCOc1cccc(CNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)c1
InChIInChI=1S/C18H22N2O5S2/c1-24-15-4-2-3-14(11-15)13-19-17(21)12-16-5-6-18(26-16)27(22,23)20-7-9-25-10-8-20/h2-6,11H,7-10,12-13H2,1H3,(H,19,21)
InChIKeyJLOSCWLUDFQFEH-UHFFFAOYSA-N
XLogP1.64
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide (CID 24979495) is N-[(3-methoxyphenyl)methyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide is COc1cccc(CNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The InChIKey is JLOSCWLUDFQFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S2/c1-24-15-4-2-3-14(11-15)13-19-17(21)12-16-5-6-18(26-16)27(22,23)20-7-9-25-10-8-20/h2-6,11H,7-10,12-13H2,1H3,(H,19,21).
What are the key properties of N-[(3-methoxyphenyl)methyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
N-[(3-methoxyphenyl)methyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide has a molecular weight of 410.52 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide is sourced from PubChem (CID 24979495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).