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

C19H24N2O5S — CID 4089524

IUPAC(3-methyl-5-morpholin-4-ylsulfonyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone
SMILESCc1c(C(=O)N2CCCCC2)oc2ccc(S(=O)(=O)N3CCOCC3)cc12
InChIInChI=1S/C19H24N2O5S/c1-14-16-13-15(27(23,24)21-9-11-25-12-10-21)5-6-17(16)26-18(14)19(22)20-7-3-2-4-8-20/h5-6,13H,2-4,7-12H2,1H3
InChIKeyFSJZVAZNHZLBRO-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.39
Rot. Bonds3

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

(3-methyl-5-morpholin-4-ylsulfonyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone (PubChem CID 4089524) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is (3-methyl-5-morpholin-4-ylsulfonyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(3-methyl-5-morpholin-4-ylsulfonyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone
PubChem CID4089524
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC Name(3-methyl-5-morpholin-4-ylsulfonyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone
SMILESCc1c(C(=O)N2CCCCC2)oc2ccc(S(=O)(=O)N3CCOCC3)cc12
InChIInChI=1S/C19H24N2O5S/c1-14-16-13-15(27(23,24)21-9-11-25-12-10-21)5-6-17(16)26-18(14)19(22)20-7-3-2-4-8-20/h5-6,13H,2-4,7-12H2,1H3
InChIKeyFSJZVAZNHZLBRO-UHFFFAOYSA-N
XLogP2.39
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(azepan-1-ylsulfonyl)-3-methyl-1-benzofuran-2-yl]-morpholin-4-ylmethanone
CID 3243719
(4-methylpiperazin-1-yl)-(3-methyl-5-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-yl)methanone
CID 5091000
(4-ethylpiperazin-4-ium-1-yl)-(3-methyl-5-piperidin-1-ylsulfonyl-1-benzofuran-2-yl)methanone
CID 4061891
5-(azepan-1-ylsulfonyl)-N-(3-chloro-2-methylphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 4246543
N-(2-cyanoethyl)-N,3-dimethyl-5-morpholin-4-ylsulfonyl-1-benzofuran-2-carboxamide
CID 3596456
N-(4-fluorophenyl)-3-methyl-5-piperidin-1-ylsulfonyl-1-benzofuran-2-carboxamide
CID 4526754
N-butan-2-yl-3-methyl-5-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-carboxamide
CID 4059945
N-(2,3-dimethylphenyl)-3-methyl-5-piperidin-1-ylsulfonyl-1-benzofuran-2-carboxamide
CID 3530969
(5-ethoxy-3-methyl-1-benzofuran-2-yl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 71904304
1-methyl-6-morpholin-4-ylsulfonyl-3-(pyrrolidine-1-carbonyl)quinolin-4-one
CID 20859121
(3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone
CID 768762
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-methyl-5-morpholin-4-ylsulfonyl-1-benzofuran-2-carboxamide
CID 3241742

Frequently Asked Questions

What is the IUPAC name of (3-methyl-5-morpholin-4-ylsulfonyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone?
The IUPAC name of (3-methyl-5-morpholin-4-ylsulfonyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone (CID 4089524) is (3-methyl-5-morpholin-4-ylsulfonyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (3-methyl-5-morpholin-4-ylsulfonyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (3-methyl-5-morpholin-4-ylsulfonyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone is Cc1c(C(=O)N2CCCCC2)oc2ccc(S(=O)(=O)N3CCOCC3)cc12.
What is the InChIKey of (3-methyl-5-morpholin-4-ylsulfonyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone?
The InChIKey is FSJZVAZNHZLBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-14-16-13-15(27(23,24)21-9-11-25-12-10-21)5-6-17(16)26-18(14)19(22)20-7-3-2-4-8-20/h5-6,13H,2-4,7-12H2,1H3.
What are the key properties of (3-methyl-5-morpholin-4-ylsulfonyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone?
(3-methyl-5-morpholin-4-ylsulfonyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone has a molecular weight of 392.48 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-5-morpholin-4-ylsulfonyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 4089524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).