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

C16H18N2O5S — CID 2971277

IUPAC2-methyl-N-(3-morpholin-4-ylsulfonylphenyl)furan-3-carboxamide
SMILESCc1occc1C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C16H18N2O5S/c1-12-15(5-8-23-12)16(19)17-13-3-2-4-14(11-13)24(20,21)18-6-9-22-10-7-18/h2-5,8,11H,6-7,9-10H2,1H3,(H,17,19)
InChIKeySLUGKGPEOLYQEA-UHFFFAOYSA-N
MW350.40 g/mol
LogP1.86
Rot. Bonds4

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

2-methyl-N-(3-morpholin-4-ylsulfonylphenyl)furan-3-carboxamide (PubChem CID 2971277) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is 2-methyl-N-(3-morpholin-4-ylsulfonylphenyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(3-morpholin-4-ylsulfonylphenyl)furan-3-carboxamide
PubChem CID2971277
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC Name2-methyl-N-(3-morpholin-4-ylsulfonylphenyl)furan-3-carboxamide
SMILESCc1occc1C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C16H18N2O5S/c1-12-15(5-8-23-12)16(19)17-13-3-2-4-14(11-13)24(20,21)18-6-9-22-10-7-18/h2-5,8,11H,6-7,9-10H2,1H3,(H,17,19)
InChIKeySLUGKGPEOLYQEA-UHFFFAOYSA-N
XLogP1.86
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-2-methyl-5-(morpholinosulfonyl)-3-furamide
CID 2810589
2-methyl-N-(4-sulfamoylphenyl)furan-3-carboxamide
CID 896124
5-[(dimethylamino)sulfonyl]-2-methyl-N-phenyl-3-furamide
CID 2809675
N-(4-chlorophenyl)-5-[(dimethylamino)sulfonyl]-2-methyl-3-furamide
CID 2810585
2,5-dimethyl-N-(2-morpholinophenyl)-3-furamide
CID 2811740
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 5798111
2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)furan-3-carboxamide
CID 1245284
(2E)-3-(furan-2-yl)-N-[4-(morpholin-4-ylsulfonyl)phenyl]prop-2-enamide
CID 1326115
[2-(4-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 2434535
[2-(3-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 4419767
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-methylbenzamide
CID 4560723
(E)-N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-(furan-2-yl)prop-2-enamide
CID 5885591

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-morpholin-4-ylsulfonylphenyl)furan-3-carboxamide?
The IUPAC name of 2-methyl-N-(3-morpholin-4-ylsulfonylphenyl)furan-3-carboxamide (CID 2971277) is 2-methyl-N-(3-morpholin-4-ylsulfonylphenyl)furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(3-morpholin-4-ylsulfonylphenyl)furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-(3-morpholin-4-ylsulfonylphenyl)furan-3-carboxamide is Cc1occc1C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 2-methyl-N-(3-morpholin-4-ylsulfonylphenyl)furan-3-carboxamide?
The InChIKey is SLUGKGPEOLYQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S/c1-12-15(5-8-23-12)16(19)17-13-3-2-4-14(11-13)24(20,21)18-6-9-22-10-7-18/h2-5,8,11H,6-7,9-10H2,1H3,(H,17,19).
What are the key properties of 2-methyl-N-(3-morpholin-4-ylsulfonylphenyl)furan-3-carboxamide?
2-methyl-N-(3-morpholin-4-ylsulfonylphenyl)furan-3-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-morpholin-4-ylsulfonylphenyl)furan-3-carboxamide is sourced from PubChem (CID 2971277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).