2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid

C15H24N2O7S — CID 120533805

IUPAC2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
SMILESCC(C)(C)OCCC(NC(=O)c1ccc(CNS(C)(=O)=O)o1)C(=O)O
InChIInChI=1S/C15H24N2O7S/c1-15(2,3)23-8-7-11(14(19)20)17-13(18)12-6-5-10(24-12)9-16-25(4,21)22/h5-6,11,16H,7-9H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyLPOZCLFZAUJKAO-UHFFFAOYSA-N
MW376.43 g/mol
LogP0.72
Rot. Bonds9

About 2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid

2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid (PubChem CID 120533805) has the molecular formula C15H24N2O7S and a molecular weight of 376.43 g/mol. Its IUPAC name is 2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid.

Molecular Properties

Compound Name2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
PubChem CID120533805
Molecular FormulaC15H24N2O7S
Molecular Weight376.43 g/mol
Exact Mass376.13
IUPAC Name2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
SMILESCC(C)(C)OCCC(NC(=O)c1ccc(CNS(C)(=O)=O)o1)C(=O)O
InChIInChI=1S/C15H24N2O7S/c1-15(2,3)23-8-7-11(14(19)20)17-13(18)12-6-5-10(24-12)9-16-25(4,21)22/h5-6,11,16H,7-9H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyLPOZCLFZAUJKAO-UHFFFAOYSA-N
XLogP0.72
TPSA134.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic 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

(2R)-2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-3-methylbutanoic acid
CID 119369372
2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-2-methylbutanoic acid
CID 120518633
2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]-4-methylsulfonylbutanoic acid
CID 43358779
N-(1-aminohexan-2-yl)-5-(methanesulfonamidomethyl)furan-2-carboxamide;hydrochloride
CID 119667798
2-[(5-ethylfuran-2-carbonyl)amino]-3-methoxypropanoic acid
CID 81077617
N-(2-amino-2-ethylbutyl)-5-(methanesulfonamidomethyl)furan-2-carboxamide
CID 119642867
5-(methanesulfonamidomethyl)-N-(1-thiophen-2-ylpropan-2-yl)furan-2-carboxamide
CID 75377815
(2R)-2-[[5-(methylsulfonylmethyl)furan-2-carbonyl]amino]-3-phenylpropanoic acid
CID 119366856
6-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]hexanoic acid
CID 119352313
2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]pentanedioic acid
CID 60830807
2-[(4-chloro-3-fluorobenzoyl)amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 120533737
2-[[3-(furan-3-yl)benzoyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 120533658

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid?
The IUPAC name of 2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid (CID 120533805) is 2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid.
What is the SMILES notation for 2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid?
The canonical SMILES for 2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid is CC(C)(C)OCCC(NC(=O)c1ccc(CNS(C)(=O)=O)o1)C(=O)O.
What is the InChIKey of 2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid?
The InChIKey is LPOZCLFZAUJKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O7S/c1-15(2,3)23-8-7-11(14(19)20)17-13(18)12-6-5-10(24-12)9-16-25(4,21)22/h5-6,11,16H,7-9H2,1-4H3,(H,17,18)(H,19,20).
What are the key properties of 2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid?
2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid has a molecular weight of 376.43 g/mol, XLogP of 0.72, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid is sourced from PubChem (CID 120533805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).