5-(dimethylsulfamoyl)-N-[2-(furan-2-yl)-1-(4-methylsulfanylphenyl)ethyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide

C22H26N4O5S2 — CID 67463605

IUPAC5-(dimethylsulfamoyl)-N-[2-(furan-2-yl)-1-(4-methylsulfanylphenyl)ethyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
SMILESCSc1ccc(C(Cc2ccco2)NC(=O)c2noc3c2CN(S(=O)(=O)N(C)C)CC3)cc1
InChIInChI=1S/C22H26N4O5S2/c1-25(2)33(28,29)26-11-10-20-18(14-26)21(24-31-20)22(27)23-19(13-16-5-4-12-30-16)15-6-8-17(32-3)9-7-15/h4-9,12,19H,10-11,13-14H2,1-3H3,(H,23,27)
InChIKeyXRHRFJMXHQSEKT-UHFFFAOYSA-N
MW490.61 g/mol
LogP2.87
Rot. Bonds8

About 5-(dimethylsulfamoyl)-N-[2-(furan-2-yl)-1-(4-methylsulfanylphenyl)ethyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide

5-(dimethylsulfamoyl)-N-[2-(furan-2-yl)-1-(4-methylsulfanylphenyl)ethyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide (PubChem CID 67463605) has the molecular formula C22H26N4O5S2 and a molecular weight of 490.61 g/mol. Its IUPAC name is 5-(dimethylsulfamoyl)-N-[2-(furan-2-yl)-1-(4-methylsulfanylphenyl)ethyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(dimethylsulfamoyl)-N-[2-(furan-2-yl)-1-(4-methylsulfanylphenyl)ethyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
PubChem CID67463605
Molecular FormulaC22H26N4O5S2
Molecular Weight490.61 g/mol
Exact Mass490.13
IUPAC Name5-(dimethylsulfamoyl)-N-[2-(furan-2-yl)-1-(4-methylsulfanylphenyl)ethyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
SMILESCSc1ccc(C(Cc2ccco2)NC(=O)c2noc3c2CN(S(=O)(=O)N(C)C)CC3)cc1
InChIInChI=1S/C22H26N4O5S2/c1-25(2)33(28,29)26-11-10-20-18(14-26)21(24-31-20)22(27)23-19(13-16-5-4-12-30-16)15-6-8-17(32-3)9-7-15/h4-9,12,19H,10-11,13-14H2,1-3H3,(H,23,27)
InChIKeyXRHRFJMXHQSEKT-UHFFFAOYSA-N
XLogP2.87
TPSA108.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.61
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(dimethylsulfamoyl)-N-[2-(furan-2-yl)-1-(4-methylsulfanylphenyl)ethyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide with MolForge

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Related Compounds

N-(2-hydroxy-1-phenylethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 24947641
N-(furan-2-ylmethyl)-6-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 24947639
3-(furan-2-yl)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]propanamide
CID 34476835
N-(furan-2-ylmethyl)-N-methyl-4-methylsulfanylbenzenesulfonamide
CID 49237525
N-(furan-2-ylmethyl)-5-[(2-methylpyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 155870774
N-[1-(4-ethylsulfanylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 106849283
N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
CID 20923882
N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-(4-propan-2-ylphenyl)sulfanylacetamide
CID 51952801
N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(4-propan-2-ylphenyl)sulfanylacetamide
CID 51952800
(2S)-2-[(5,5-difluoro-6,7-dihydro-4H-1,2-benzoxazole-3-carbonyl)amino]-3-phenylpropanoic acid
CID 167914522
4-methylsulfanyl-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 9149987
4-(furan-2-ylmethylsulfamoyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31443585

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoyl)-N-[2-(furan-2-yl)-1-(4-methylsulfanylphenyl)ethyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The IUPAC name of 5-(dimethylsulfamoyl)-N-[2-(furan-2-yl)-1-(4-methylsulfanylphenyl)ethyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide (CID 67463605) is 5-(dimethylsulfamoyl)-N-[2-(furan-2-yl)-1-(4-methylsulfanylphenyl)ethyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-(dimethylsulfamoyl)-N-[2-(furan-2-yl)-1-(4-methylsulfanylphenyl)ethyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The canonical SMILES for 5-(dimethylsulfamoyl)-N-[2-(furan-2-yl)-1-(4-methylsulfanylphenyl)ethyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide is CSc1ccc(C(Cc2ccco2)NC(=O)c2noc3c2CN(S(=O)(=O)N(C)C)CC3)cc1.
What is the InChIKey of 5-(dimethylsulfamoyl)-N-[2-(furan-2-yl)-1-(4-methylsulfanylphenyl)ethyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The InChIKey is XRHRFJMXHQSEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O5S2/c1-25(2)33(28,29)26-11-10-20-18(14-26)21(24-31-20)22(27)23-19(13-16-5-4-12-30-16)15-6-8-17(32-3)9-7-15/h4-9,12,19H,10-11,13-14H2,1-3H3,(H,23,27).
What are the key properties of 5-(dimethylsulfamoyl)-N-[2-(furan-2-yl)-1-(4-methylsulfanylphenyl)ethyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
5-(dimethylsulfamoyl)-N-[2-(furan-2-yl)-1-(4-methylsulfanylphenyl)ethyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide has a molecular weight of 490.61 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoyl)-N-[2-(furan-2-yl)-1-(4-methylsulfanylphenyl)ethyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide is sourced from PubChem (CID 67463605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).