3-(methylsulfanylmethyl)-N-(2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide

C21H22N2O3S — CID 2677582

IUPAC3-(methylsulfanylmethyl)-N-(2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
SMILESCSCc1c(C(=O)Nc2ccccc2N2CCOCC2)oc2ccccc12
InChIInChI=1S/C21H22N2O3S/c1-27-14-16-15-6-2-5-9-19(15)26-20(16)21(24)22-17-7-3-4-8-18(17)23-10-12-25-13-11-23/h2-9H,10-14H2,1H3,(H,22,24)
InChIKeyFWFAUEHQKAIVCU-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.38
Rot. Bonds5

About 3-(methylsulfanylmethyl)-N-(2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide

3-(methylsulfanylmethyl)-N-(2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide (PubChem CID 2677582) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is 3-(methylsulfanylmethyl)-N-(2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-(methylsulfanylmethyl)-N-(2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
PubChem CID2677582
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC Name3-(methylsulfanylmethyl)-N-(2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
SMILESCSCc1c(C(=O)Nc2ccccc2N2CCOCC2)oc2ccccc12
InChIInChI=1S/C21H22N2O3S/c1-27-14-16-15-6-2-5-9-19(15)26-20(16)21(24)22-17-7-3-4-8-18(17)23-10-12-25-13-11-23/h2-9H,10-14H2,1H3,(H,22,24)
InChIKeyFWFAUEHQKAIVCU-UHFFFAOYSA-N
XLogP4.38
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfanylmethyl)-N-(2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-(methylsulfanylmethyl)-N-(2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide (CID 2677582) is 3-(methylsulfanylmethyl)-N-(2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-(methylsulfanylmethyl)-N-(2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-(methylsulfanylmethyl)-N-(2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide is CSCc1c(C(=O)Nc2ccccc2N2CCOCC2)oc2ccccc12.
What is the InChIKey of 3-(methylsulfanylmethyl)-N-(2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is FWFAUEHQKAIVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-27-14-16-15-6-2-5-9-19(15)26-20(16)21(24)22-17-7-3-4-8-18(17)23-10-12-25-13-11-23/h2-9H,10-14H2,1H3,(H,22,24).
What are the key properties of 3-(methylsulfanylmethyl)-N-(2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide?
3-(methylsulfanylmethyl)-N-(2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfanylmethyl)-N-(2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2677582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).