2-[(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]-2-phenylbutanoic acid

C16H18N2O6S — CID 119202013

IUPAC2-[(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]-2-phenylbutanoic acid
SMILESCCC(NC(=O)c1cc(S(N)(=O)=O)c(C)o1)(C(=O)O)c1ccccc1
InChIInChI=1S/C16H18N2O6S/c1-3-16(15(20)21,11-7-5-4-6-8-11)18-14(19)12-9-13(10(2)24-12)25(17,22)23/h4-9H,3H2,1-2H3,(H,18,19)(H,20,21)(H2,17,22,23)
InChIKeyFBKQKPCJKOSKSW-UHFFFAOYSA-N
MW366.40 g/mol
LogP1.36
Rot. Bonds6

About 2-[(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]-2-phenylbutanoic acid

2-[(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]-2-phenylbutanoic acid (PubChem CID 119202013) has the molecular formula C16H18N2O6S and a molecular weight of 366.40 g/mol. Its IUPAC name is 2-[(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]-2-phenylbutanoic acid.

Molecular Properties

Compound Name2-[(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]-2-phenylbutanoic acid
PubChem CID119202013
Molecular FormulaC16H18N2O6S
Molecular Weight366.40 g/mol
Exact Mass366.09
IUPAC Name2-[(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]-2-phenylbutanoic acid
SMILESCCC(NC(=O)c1cc(S(N)(=O)=O)c(C)o1)(C(=O)O)c1ccccc1
InChIInChI=1S/C16H18N2O6S/c1-3-16(15(20)21,11-7-5-4-6-8-11)18-14(19)12-9-13(10(2)24-12)25(17,22)23/h4-9H,3H2,1-2H3,(H,18,19)(H,20,21)(H2,17,22,23)
InChIKeyFBKQKPCJKOSKSW-UHFFFAOYSA-N
XLogP1.36
TPSA139.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]-2-phenylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-2-phenylbutanoic acid
CID 119201809
N-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-4-sulfamoylfuran-2-carboxamide
CID 119609057
(2S)-2-[[3-(methylsulfonylmethyl)benzoyl]amino]-2-phenylbutanoic acid
CID 97233913
2-[(2-methyl-5-methylsulfonylbenzoyl)amino]-2-phenylbutanoic acid
CID 119201738
2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-2-phenylbutanoic acid
CID 119201770
N-hexan-2-yl-5-methyl-4-sulfamoylfuran-2-carboxamide
CID 65387104
5-methyl-N-(3-methylsulfinylpropyl)-4-sulfamoylfuran-2-carboxamide
CID 115688805
2-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]-2-phenylbutanoic acid
CID 119201948
5-methyl-4-sulfamoyl-N-(5,5,5-trifluoropentyl)furan-2-carboxamide
CID 115491569
2-(4-chlorophenyl)-2-[(2,5-dimethylfuran-3-carbonyl)amino]butanoic acid
CID 120977808
tert-butyl 5-methyl-4-sulfamoylfuran-2-carboxylate
CID 65382030
N-cyclobutyl-5-methyl-4-sulfamoylfuran-2-carboxamide
CID 65389029

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]-2-phenylbutanoic acid?
The IUPAC name of 2-[(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]-2-phenylbutanoic acid (CID 119202013) is 2-[(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]-2-phenylbutanoic acid.
What is the SMILES notation for 2-[(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]-2-phenylbutanoic acid?
The canonical SMILES for 2-[(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]-2-phenylbutanoic acid is CCC(NC(=O)c1cc(S(N)(=O)=O)c(C)o1)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]-2-phenylbutanoic acid?
The InChIKey is FBKQKPCJKOSKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O6S/c1-3-16(15(20)21,11-7-5-4-6-8-11)18-14(19)12-9-13(10(2)24-12)25(17,22)23/h4-9H,3H2,1-2H3,(H,18,19)(H,20,21)(H2,17,22,23).
What are the key properties of 2-[(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]-2-phenylbutanoic acid?
2-[(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]-2-phenylbutanoic acid has a molecular weight of 366.40 g/mol, XLogP of 1.36, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]-2-phenylbutanoic acid is sourced from PubChem (CID 119202013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).