(3-methyl-5-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-yl)-morpholin-4-ylmethanone

C18H22N2O5S — CID 3239857

IUPAC(3-methyl-5-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-yl)-morpholin-4-ylmethanone
SMILESCc1c(C(=O)N2CCOCC2)oc2ccc(S(=O)(=O)N3CCCC3)cc12
InChIInChI=1S/C18H22N2O5S/c1-13-15-12-14(26(22,23)20-6-2-3-7-20)4-5-16(15)25-17(13)18(21)19-8-10-24-11-9-19/h4-5,12H,2-3,6-11H2,1H3
InChIKeyMUFRBEUWZIZUFR-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.00
Rot. Bonds3

About (3-methyl-5-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-yl)-morpholin-4-ylmethanone

(3-methyl-5-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-yl)-morpholin-4-ylmethanone (PubChem CID 3239857) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is (3-methyl-5-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(3-methyl-5-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-yl)-morpholin-4-ylmethanone
PubChem CID3239857
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Name(3-methyl-5-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-yl)-morpholin-4-ylmethanone
SMILESCc1c(C(=O)N2CCOCC2)oc2ccc(S(=O)(=O)N3CCCC3)cc12
InChIInChI=1S/C18H22N2O5S/c1-13-15-12-14(26(22,23)20-6-2-3-7-20)4-5-16(15)25-17(13)18(21)19-8-10-24-11-9-19/h4-5,12H,2-3,6-11H2,1H3
InChIKeyMUFRBEUWZIZUFR-UHFFFAOYSA-N
XLogP2.00
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-5-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-yl)-morpholin-4-ylmethanone?
The IUPAC name of (3-methyl-5-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-yl)-morpholin-4-ylmethanone (CID 3239857) is (3-methyl-5-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (3-methyl-5-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (3-methyl-5-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-yl)-morpholin-4-ylmethanone is Cc1c(C(=O)N2CCOCC2)oc2ccc(S(=O)(=O)N3CCCC3)cc12.
What is the InChIKey of (3-methyl-5-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-yl)-morpholin-4-ylmethanone?
The InChIKey is MUFRBEUWZIZUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-13-15-12-14(26(22,23)20-6-2-3-7-20)4-5-16(15)25-17(13)18(21)19-8-10-24-11-9-19/h4-5,12H,2-3,6-11H2,1H3.
What are the key properties of (3-methyl-5-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-yl)-morpholin-4-ylmethanone?
(3-methyl-5-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-yl)-morpholin-4-ylmethanone has a molecular weight of 378.45 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-5-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 3239857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).