4-methoxy-3-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide

C17H20N2O5S2 — CID 1081050

IUPAC4-methoxy-3-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)NCc2cccs2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C17H20N2O5S2/c1-23-15-5-4-13(17(20)18-12-14-3-2-10-25-14)11-16(15)26(21,22)19-6-8-24-9-7-19/h2-5,10-11H,6-9,12H2,1H3,(H,18,20)
InChIKeyOFZGQSGLJVXQEH-UHFFFAOYSA-N
MW396.49 g/mol
LogP1.71
Rot. Bonds6

About 4-methoxy-3-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide

4-methoxy-3-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 1081050) has the molecular formula C17H20N2O5S2 and a molecular weight of 396.49 g/mol. Its IUPAC name is 4-methoxy-3-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-methoxy-3-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide
PubChem CID1081050
Molecular FormulaC17H20N2O5S2
Molecular Weight396.49 g/mol
Exact Mass396.08
IUPAC Name4-methoxy-3-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)NCc2cccs2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C17H20N2O5S2/c1-23-15-5-4-13(17(20)18-12-14-3-2-10-25-14)11-16(15)26(21,22)19-6-8-24-9-7-19/h2-5,10-11H,6-9,12H2,1H3,(H,18,20)
InChIKeyOFZGQSGLJVXQEH-UHFFFAOYSA-N
XLogP1.71
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 4-methoxy-3-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide (CID 1081050) is 4-methoxy-3-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 4-methoxy-3-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 4-methoxy-3-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide is COc1ccc(C(=O)NCc2cccs2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-methoxy-3-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is OFZGQSGLJVXQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S2/c1-23-15-5-4-13(17(20)18-12-14-3-2-10-25-14)11-16(15)26(21,22)19-6-8-24-9-7-19/h2-5,10-11H,6-9,12H2,1H3,(H,18,20).
What are the key properties of 4-methoxy-3-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide?
4-methoxy-3-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 396.49 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 1081050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).