2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-2-methylbutanoic acid

C12H18N2O6S — CID 120518633

IUPAC2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)c1ccc(CNS(C)(=O)=O)o1)C(=O)O
InChIInChI=1S/C12H18N2O6S/c1-4-12(2,11(16)17)14-10(15)9-6-5-8(20-9)7-13-21(3,18)19/h5-6,13H,4,7H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyOJOLEUFPKLOCQB-UHFFFAOYSA-N
MW318.35 g/mol
LogP0.31
Rot. Bonds7

About 2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-2-methylbutanoic acid

2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-2-methylbutanoic acid (PubChem CID 120518633) has the molecular formula C12H18N2O6S and a molecular weight of 318.35 g/mol. Its IUPAC name is 2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-2-methylbutanoic acid
PubChem CID120518633
Molecular FormulaC12H18N2O6S
Molecular Weight318.35 g/mol
Exact Mass318.09
IUPAC Name2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)c1ccc(CNS(C)(=O)=O)o1)C(=O)O
InChIInChI=1S/C12H18N2O6S/c1-4-12(2,11(16)17)14-10(15)9-6-5-8(20-9)7-13-21(3,18)19/h5-6,13H,4,7H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyOJOLEUFPKLOCQB-UHFFFAOYSA-N
XLogP0.31
TPSA125.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-2-methylbutanoic 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

N-(2-amino-2-ethylbutyl)-5-(methanesulfonamidomethyl)furan-2-carboxamide
CID 119642867
(2R)-2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-3-methylbutanoic acid
CID 119369372
2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 120533805
6-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]hexanoic acid
CID 119352313
N-(1-aminohexan-2-yl)-5-(methanesulfonamidomethyl)furan-2-carboxamide;hydrochloride
CID 119667798
2-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]-2-methylpentanoic acid
CID 43618801
N-[2-(4-aminophenyl)ethyl]-5-(methanesulfonamidomethyl)furan-2-carboxamide;hydrochloride
CID 119549161
5-(methanesulfonamidomethyl)-N-(1-thiophen-2-ylpropan-2-yl)furan-2-carboxamide
CID 75377815
5-[[2-(methanesulfonamido)ethylamino]methyl]furan-2-carboxylic acid
CID 55203550
5-(aminomethyl)-N-(3-methylpentan-3-yl)furan-2-carboxamide
CID 103811384
N-(3-hydroxy-2-methylbutan-2-yl)-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 113372208
2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-2-methylpentanoic acid
CID 119192017

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-2-methylbutanoic acid?
The IUPAC name of 2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-2-methylbutanoic acid (CID 120518633) is 2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-2-methylbutanoic acid is CCC(C)(NC(=O)c1ccc(CNS(C)(=O)=O)o1)C(=O)O.
What is the InChIKey of 2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-2-methylbutanoic acid?
The InChIKey is OJOLEUFPKLOCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O6S/c1-4-12(2,11(16)17)14-10(15)9-6-5-8(20-9)7-13-21(3,18)19/h5-6,13H,4,7H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-2-methylbutanoic acid?
2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-2-methylbutanoic acid has a molecular weight of 318.35 g/mol, XLogP of 0.31, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-2-methylbutanoic acid is sourced from PubChem (CID 120518633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).