5-morpholin-4-ylsulfonyl-N-(2,4,6-trimethylphenyl)furan-2-carboxamide

C18H22N2O5S — CID 39087927

IUPAC5-morpholin-4-ylsulfonyl-N-(2,4,6-trimethylphenyl)furan-2-carboxamide
SMILESCc1cc(C)c(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)c(C)c1
InChIInChI=1S/C18H22N2O5S/c1-12-10-13(2)17(14(3)11-12)19-18(21)15-4-5-16(25-15)26(22,23)20-6-8-24-9-7-20/h4-5,10-11H,6-9H2,1-3H3,(H,19,21)
InChIKeyJKWTZUUPHBFEFO-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.48
Rot. Bonds4

About 5-morpholin-4-ylsulfonyl-N-(2,4,6-trimethylphenyl)furan-2-carboxamide

5-morpholin-4-ylsulfonyl-N-(2,4,6-trimethylphenyl)furan-2-carboxamide (PubChem CID 39087927) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is 5-morpholin-4-ylsulfonyl-N-(2,4,6-trimethylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-morpholin-4-ylsulfonyl-N-(2,4,6-trimethylphenyl)furan-2-carboxamide
PubChem CID39087927
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Name5-morpholin-4-ylsulfonyl-N-(2,4,6-trimethylphenyl)furan-2-carboxamide
SMILESCc1cc(C)c(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)c(C)c1
InChIInChI=1S/C18H22N2O5S/c1-12-10-13(2)17(14(3)11-12)19-18(21)15-4-5-16(25-15)26(22,23)20-6-8-24-9-7-20/h4-5,10-11H,6-9H2,1-3H3,(H,19,21)
InChIKeyJKWTZUUPHBFEFO-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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Related Compounds

4-chloro-3-morpholin-4-ylsulfonyl-N-(2,4,6-trimethylphenyl)benzamide
CID 7899792
N-(2-hydroxyphenyl)-5-morpholin-4-ylsulfonylfuran-2-carboxamide
CID 84578663
N-(2-methyl-4-morpholin-4-ylphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55632664
N-[2-(dimethylamino)ethyl]-5-morpholin-4-ylsulfonylfuran-2-carboxamide
CID 110476324
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-5-methylfuran-2-carboxamide
CID 108791562
N-(3-morpholin-4-ylpropyl)-5-morpholin-4-ylsulfonylfuran-2-carboxamide
CID 35993608
5-morpholin-4-ylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-7-yl)furan-2-carboxamide
CID 112522783
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-morpholin-4-ylsulfonylfuran-2-carboxamide
CID 112528608
N-[(5-ethylthiophen-2-yl)methyl]-5-morpholin-4-ylsulfonylfuran-2-carboxamide
CID 46466417
N-(1,3-benzothiazol-6-yl)-5-morpholin-4-ylsulfonylfuran-2-carboxamide
CID 112525792
5-amino-N-(2,4,6-trimethylphenyl)furan-2-carboxamide
CID 82344274
5-morpholin-4-ylsulfonyl-N-[1-(4-phenylphenyl)ethyl]furan-2-carboxamide
CID 46409252

Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-ylsulfonyl-N-(2,4,6-trimethylphenyl)furan-2-carboxamide?
The IUPAC name of 5-morpholin-4-ylsulfonyl-N-(2,4,6-trimethylphenyl)furan-2-carboxamide (CID 39087927) is 5-morpholin-4-ylsulfonyl-N-(2,4,6-trimethylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-morpholin-4-ylsulfonyl-N-(2,4,6-trimethylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-morpholin-4-ylsulfonyl-N-(2,4,6-trimethylphenyl)furan-2-carboxamide is Cc1cc(C)c(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)c(C)c1.
What is the InChIKey of 5-morpholin-4-ylsulfonyl-N-(2,4,6-trimethylphenyl)furan-2-carboxamide?
The InChIKey is JKWTZUUPHBFEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-12-10-13(2)17(14(3)11-12)19-18(21)15-4-5-16(25-15)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 5-morpholin-4-ylsulfonyl-N-(2,4,6-trimethylphenyl)furan-2-carboxamide?
5-morpholin-4-ylsulfonyl-N-(2,4,6-trimethylphenyl)furan-2-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 5-morpholin-4-ylsulfonyl-N-(2,4,6-trimethylphenyl)furan-2-carboxamide is sourced from PubChem (CID 39087927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).