2,5-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)furan-3-carboxamide

C18H22N2O5S — CID 4880428

IUPAC2,5-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)furan-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c(C)o1
InChIInChI=1S/C18H22N2O5S/c1-12-4-5-15(19-18(21)16-10-13(2)25-14(16)3)11-17(12)26(22,23)20-6-8-24-9-7-20/h4-5,10-11H,6-9H2,1-3H3,(H,19,21)
InChIKeyDXLRUTVDEYSASM-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.48
Rot. Bonds4

About 2,5-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)furan-3-carboxamide

2,5-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)furan-3-carboxamide (PubChem CID 4880428) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is 2,5-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)furan-3-carboxamide
PubChem CID4880428
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Name2,5-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)furan-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c(C)o1
InChIInChI=1S/C18H22N2O5S/c1-12-4-5-15(19-18(21)16-10-13(2)25-14(16)3)11-17(12)26(22,23)20-6-8-24-9-7-20/h4-5,10-11H,6-9H2,1-3H3,(H,19,21)
InChIKeyDXLRUTVDEYSASM-UHFFFAOYSA-N
XLogP2.48
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)furan-3-carboxamide (CID 4880428) is 2,5-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)furan-3-carboxamide is Cc1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)furan-3-carboxamide?
The InChIKey is DXLRUTVDEYSASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-12-4-5-15(19-18(21)16-10-13(2)25-14(16)3)11-17(12)26(22,23)20-6-8-24-9-7-20/h4-5,10-11H,6-9H2,1-3H3,(H,19,21).
What are the key properties of 2,5-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)furan-3-carboxamide?
2,5-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)furan-3-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)furan-3-carboxamide is sourced from PubChem (CID 4880428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).