5-(dimethylsulfamoyl)-N-(2-hydroxy-4-methylpentyl)furan-2-carboxamide

C13H22N2O5S — CID 103771245

IUPAC5-(dimethylsulfamoyl)-N-(2-hydroxy-4-methylpentyl)furan-2-carboxamide
SMILESCC(C)CC(O)CNC(=O)c1ccc(S(=O)(=O)N(C)C)o1
InChIInChI=1S/C13H22N2O5S/c1-9(2)7-10(16)8-14-13(17)11-5-6-12(20-11)21(18,19)15(3)4/h5-6,9-10,16H,7-8H2,1-4H3,(H,14,17)
InChIKeyVAOKOEUHEUNPCC-UHFFFAOYSA-N
MW318.40 g/mol
LogP0.67
Rot. Bonds7

About 5-(dimethylsulfamoyl)-N-(2-hydroxy-4-methylpentyl)furan-2-carboxamide

5-(dimethylsulfamoyl)-N-(2-hydroxy-4-methylpentyl)furan-2-carboxamide (PubChem CID 103771245) has the molecular formula C13H22N2O5S and a molecular weight of 318.40 g/mol. Its IUPAC name is 5-(dimethylsulfamoyl)-N-(2-hydroxy-4-methylpentyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(dimethylsulfamoyl)-N-(2-hydroxy-4-methylpentyl)furan-2-carboxamide
PubChem CID103771245
Molecular FormulaC13H22N2O5S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name5-(dimethylsulfamoyl)-N-(2-hydroxy-4-methylpentyl)furan-2-carboxamide
SMILESCC(C)CC(O)CNC(=O)c1ccc(S(=O)(=O)N(C)C)o1
InChIInChI=1S/C13H22N2O5S/c1-9(2)7-10(16)8-14-13(17)11-5-6-12(20-11)21(18,19)15(3)4/h5-6,9-10,16H,7-8H2,1-4H3,(H,14,17)
InChIKeyVAOKOEUHEUNPCC-UHFFFAOYSA-N
XLogP0.67
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(dimethylsulfamoyl)-N-(2-hydroxypropyl)furan-2-carboxamide
CID 43427872
N-(2-methylpropyl)-5-sulfamoylfuran-2-carboxamide
CID 47318772
2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-3-methylbutanoic acid
CID 43353960
(2R)-2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-3-methylbutanoic acid
CID 79009314
6-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]hexanoic acid
CID 119219853
5-(dimethylsulfamoyl)-N-(1-hydroxypropan-2-yl)-N-methylfuran-2-carboxamide
CID 112548201
2-[2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119241802
5-(dimethylsulfamoyl)-N-(2-hydroxyethyl)-N-propan-2-ylfuran-2-carboxamide
CID 43573514
2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]-propan-2-ylamino]acetic acid
CID 60832389
5-(dimethylsulfamoyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)furan-2-carboxamide;hydrochloride
CID 120811580
2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-4-hydroxybutanoic acid
CID 61243288
4-ethyl-N-(2-hydroxy-4-methylpentyl)benzamide
CID 113258694

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoyl)-N-(2-hydroxy-4-methylpentyl)furan-2-carboxamide?
The IUPAC name of 5-(dimethylsulfamoyl)-N-(2-hydroxy-4-methylpentyl)furan-2-carboxamide (CID 103771245) is 5-(dimethylsulfamoyl)-N-(2-hydroxy-4-methylpentyl)furan-2-carboxamide.
What is the SMILES notation for 5-(dimethylsulfamoyl)-N-(2-hydroxy-4-methylpentyl)furan-2-carboxamide?
The canonical SMILES for 5-(dimethylsulfamoyl)-N-(2-hydroxy-4-methylpentyl)furan-2-carboxamide is CC(C)CC(O)CNC(=O)c1ccc(S(=O)(=O)N(C)C)o1.
What is the InChIKey of 5-(dimethylsulfamoyl)-N-(2-hydroxy-4-methylpentyl)furan-2-carboxamide?
The InChIKey is VAOKOEUHEUNPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5S/c1-9(2)7-10(16)8-14-13(17)11-5-6-12(20-11)21(18,19)15(3)4/h5-6,9-10,16H,7-8H2,1-4H3,(H,14,17).
What are the key properties of 5-(dimethylsulfamoyl)-N-(2-hydroxy-4-methylpentyl)furan-2-carboxamide?
5-(dimethylsulfamoyl)-N-(2-hydroxy-4-methylpentyl)furan-2-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 0.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoyl)-N-(2-hydroxy-4-methylpentyl)furan-2-carboxamide is sourced from PubChem (CID 103771245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).