2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-2-phenylbutanoic acid

C17H20N2O6S — CID 119201809

IUPAC2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-2-phenylbutanoic acid
SMILESCCC(NC(=O)c1ccc(S(=O)(=O)N(C)C)o1)(C(=O)O)c1ccccc1
InChIInChI=1S/C17H20N2O6S/c1-4-17(16(21)22,12-8-6-5-7-9-12)18-15(20)13-10-11-14(25-13)26(23,24)19(2)3/h5-11H,4H2,1-3H3,(H,18,20)(H,21,22)
InChIKeyXOFBAASVBJPXNC-UHFFFAOYSA-N
MW380.42 g/mol
LogP1.65
Rot. Bonds7

About 2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-2-phenylbutanoic acid

2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-2-phenylbutanoic acid (PubChem CID 119201809) has the molecular formula C17H20N2O6S and a molecular weight of 380.42 g/mol. Its IUPAC name is 2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-2-phenylbutanoic acid.

Molecular Properties

Compound Name2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-2-phenylbutanoic acid
PubChem CID119201809
Molecular FormulaC17H20N2O6S
Molecular Weight380.42 g/mol
Exact Mass380.10
IUPAC Name2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-2-phenylbutanoic acid
SMILESCCC(NC(=O)c1ccc(S(=O)(=O)N(C)C)o1)(C(=O)O)c1ccccc1
InChIInChI=1S/C17H20N2O6S/c1-4-17(16(21)22,12-8-6-5-7-9-12)18-15(20)13-10-11-14(25-13)26(23,24)19(2)3/h5-11H,4H2,1-3H3,(H,18,20)(H,21,22)
InChIKeyXOFBAASVBJPXNC-UHFFFAOYSA-N
XLogP1.65
TPSA116.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide
CID 2905675
Furan-2-carboxamide deriv., 16
CID 44236902
[2-[(4-Methoxyphenyl)methylamino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2116217
[2-[4-(Furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 2355620
N-(2-furylmethyl)-3-{4-[(propylamino)sulfonyl]phenyl}propanamide
CID 1796343
Sdccgsbi-0662220.P001
CID 2122148
[2-(Cyclohexylamino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2401305
4-(Dimethylsulfamoyl)benzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester
CID 2428192
N-cyclopropyl-5-(diethylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide
CID 4577166
[2-(Furan-2-ylmethylamino)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 18277563
N-(Furan-2-carbonyl)-4-sulfamoyl-benzamide
CID 44306870
(2R)-2-amino-3-[[5-(2-ethylphenyl)furan-2-carbonyl]amino]propanoic acid
CID 166627688

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-2-phenylbutanoic acid?
The IUPAC name of 2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-2-phenylbutanoic acid (CID 119201809) is 2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-2-phenylbutanoic acid.
What is the SMILES notation for 2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-2-phenylbutanoic acid?
The canonical SMILES for 2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-2-phenylbutanoic acid is CCC(NC(=O)c1ccc(S(=O)(=O)N(C)C)o1)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-2-phenylbutanoic acid?
The InChIKey is XOFBAASVBJPXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O6S/c1-4-17(16(21)22,12-8-6-5-7-9-12)18-15(20)13-10-11-14(25-13)26(23,24)19(2)3/h5-11H,4H2,1-3H3,(H,18,20)(H,21,22).
What are the key properties of 2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-2-phenylbutanoic acid?
2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-2-phenylbutanoic acid has a molecular weight of 380.42 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-2-phenylbutanoic acid is sourced from PubChem (CID 119201809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).