3-methyl-5-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide

C19H20N2O5S2 — CID 3242994

IUPAC3-methyl-5-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCc2cccs2)oc2ccc(S(=O)(=O)N3CCOCC3)cc12
InChIInChI=1S/C19H20N2O5S2/c1-13-16-11-15(28(23,24)21-6-8-25-9-7-21)4-5-17(16)26-18(13)19(22)20-12-14-3-2-10-27-14/h2-5,10-11H,6-9,12H2,1H3,(H,20,22)
InChIKeyPCIRACWFPKUGSR-UHFFFAOYSA-N
MW420.51 g/mol
LogP2.75
Rot. Bonds5

About 3-methyl-5-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide

3-methyl-5-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 3242994) has the molecular formula C19H20N2O5S2 and a molecular weight of 420.51 g/mol. Its IUPAC name is 3-methyl-5-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-5-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
PubChem CID3242994
Molecular FormulaC19H20N2O5S2
Molecular Weight420.51 g/mol
Exact Mass420.08
IUPAC Name3-methyl-5-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCc2cccs2)oc2ccc(S(=O)(=O)N3CCOCC3)cc12
InChIInChI=1S/C19H20N2O5S2/c1-13-16-11-15(28(23,24)21-6-8-25-9-7-21)4-5-17(16)26-18(13)19(22)20-12-14-3-2-10-27-14/h2-5,10-11H,6-9,12H2,1H3,(H,20,22)
InChIKeyPCIRACWFPKUGSR-UHFFFAOYSA-N
XLogP2.75
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-5-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide (CID 3242994) is 3-methyl-5-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-5-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-5-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide is Cc1c(C(=O)NCc2cccs2)oc2ccc(S(=O)(=O)N3CCOCC3)cc12.
What is the InChIKey of 3-methyl-5-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is PCIRACWFPKUGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S2/c1-13-16-11-15(28(23,24)21-6-8-25-9-7-21)4-5-17(16)26-18(13)19(22)20-12-14-3-2-10-27-14/h2-5,10-11H,6-9,12H2,1H3,(H,20,22).
What are the key properties of 3-methyl-5-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide?
3-methyl-5-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 3242994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).