(2R)-2-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]-3-phenylpropanoic acid

C17H20N2O6S — CID 119367357

IUPAC(2R)-2-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]-3-phenylpropanoic acid
SMILESCc1oc(C(=O)N[C@H](Cc2ccccc2)C(=O)O)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C17H20N2O6S/c1-11-15(26(23,24)19(2)3)10-14(25-11)16(20)18-13(17(21)22)9-12-7-5-4-6-8-12/h4-8,10,13H,9H2,1-3H3,(H,18,20)(H,21,22)/t13-/m1/s1
InChIKeyFQLFSCOIHIJFKC-CYBMUJFWSA-N
MW380.42 g/mol
LogP1.26
Rot. Bonds7

About (2R)-2-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]-3-phenylpropanoic acid

(2R)-2-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]-3-phenylpropanoic acid (PubChem CID 119367357) has the molecular formula C17H20N2O6S and a molecular weight of 380.42 g/mol. Its IUPAC name is (2R)-2-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]-3-phenylpropanoic acid
PubChem CID119367357
Molecular FormulaC17H20N2O6S
Molecular Weight380.42 g/mol
Exact Mass380.10
IUPAC Name(2R)-2-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]-3-phenylpropanoic acid
SMILESCc1oc(C(=O)N[C@H](Cc2ccccc2)C(=O)O)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C17H20N2O6S/c1-11-15(26(23,24)19(2)3)10-14(25-11)16(20)18-13(17(21)22)9-12-7-5-4-6-8-12/h4-8,10,13H,9H2,1-3H3,(H,18,20)(H,21,22)/t13-/m1/s1
InChIKeyFQLFSCOIHIJFKC-CYBMUJFWSA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]-4-methylpentanoic acid
CID 119364373
(2S)-2-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]-4-methylpentanoic acid
CID 119361847
(2R)-2-[(2,5-dimethylfuran-3-carbonyl)amino]-3-phenylpropanoic acid
CID 801853
2-[(2,4-dimethyl-6-oxopyran-3-carbonyl)amino]-3-phenylpropanoic acid
CID 3667995
(2R)-2-[[5-(methylsulfonylmethyl)furan-2-carbonyl]amino]-3-phenylpropanoic acid
CID 119366856
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride
CID 119609108
6-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]hexanoic acid
CID 119352297
N-(2-amino-1-cyclohexylethyl)-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride
CID 119592207
(2S)-2-[[(2S)-2-[methyl-(4-methylphenyl)sulfonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
CID 69493089
2-(1,3-oxazole-5-carbonylamino)-3-phenylpropanoic acid
CID 132649521
2-[(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]butanoic acid
CID 119223538
(2S)-2-[(3-methylfuran-2-carbonyl)amino]-3-phenylpropanoic acid
CID 30049147

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]-3-phenylpropanoic acid (CID 119367357) is (2R)-2-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]-3-phenylpropanoic acid is Cc1oc(C(=O)N[C@H](Cc2ccccc2)C(=O)O)cc1S(=O)(=O)N(C)C.
What is the InChIKey of (2R)-2-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]-3-phenylpropanoic acid?
The InChIKey is FQLFSCOIHIJFKC-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N2O6S/c1-11-15(26(23,24)19(2)3)10-14(25-11)16(20)18-13(17(21)22)9-12-7-5-4-6-8-12/h4-8,10,13H,9H2,1-3H3,(H,18,20)(H,21,22)/t13-/m1/s1.
What are the key properties of (2R)-2-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]-3-phenylpropanoic acid?
(2R)-2-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]-3-phenylpropanoic acid has a molecular weight of 380.42 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]-3-phenylpropanoic acid is sourced from PubChem (CID 119367357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).