2-[4-[[[5-(methanesulfonamidomethyl)furan-2-carbonyl]-methylamino]methyl]phenoxy]acetic acid

C17H20N2O7S — CID 120538100

IUPAC2-[4-[[[5-(methanesulfonamidomethyl)furan-2-carbonyl]-methylamino]methyl]phenoxy]acetic acid
SMILESCN(Cc1ccc(OCC(=O)O)cc1)C(=O)c1ccc(CNS(C)(=O)=O)o1
InChIInChI=1S/C17H20N2O7S/c1-19(10-12-3-5-13(6-4-12)25-11-16(20)21)17(22)15-8-7-14(26-15)9-18-27(2,23)24/h3-8,18H,9-11H2,1-2H3,(H,20,21)
InChIKeyZNXBJUANGSCGJR-UHFFFAOYSA-N
MW396.42 g/mol
LogP1.06
Rot. Bonds9

About 2-[4-[[[5-(methanesulfonamidomethyl)furan-2-carbonyl]-methylamino]methyl]phenoxy]acetic acid

2-[4-[[[5-(methanesulfonamidomethyl)furan-2-carbonyl]-methylamino]methyl]phenoxy]acetic acid (PubChem CID 120538100) has the molecular formula C17H20N2O7S and a molecular weight of 396.42 g/mol. Its IUPAC name is 2-[4-[[[5-(methanesulfonamidomethyl)furan-2-carbonyl]-methylamino]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[[[5-(methanesulfonamidomethyl)furan-2-carbonyl]-methylamino]methyl]phenoxy]acetic acid
PubChem CID120538100
Molecular FormulaC17H20N2O7S
Molecular Weight396.42 g/mol
Exact Mass396.10
IUPAC Name2-[4-[[[5-(methanesulfonamidomethyl)furan-2-carbonyl]-methylamino]methyl]phenoxy]acetic acid
SMILESCN(Cc1ccc(OCC(=O)O)cc1)C(=O)c1ccc(CNS(C)(=O)=O)o1
InChIInChI=1S/C17H20N2O7S/c1-19(10-12-3-5-13(6-4-12)25-11-16(20)21)17(22)15-8-7-14(26-15)9-18-27(2,23)24/h3-8,18H,9-11H2,1-2H3,(H,20,21)
InChIKeyZNXBJUANGSCGJR-UHFFFAOYSA-N
XLogP1.06
TPSA126.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-amino-4-methylpentyl)-5-(methanesulfonamidomethyl)-N-methylfuran-2-carboxamide
CID 119660341
N-benzyl-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 51147848
6-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]hexanoic acid
CID 119352313
2-[4-[[methyl-[4-(propan-2-ylcarbamoyl)benzoyl]amino]methyl]phenoxy]acetic acid
CID 120538027
2-[4-[[methyl(naphthalene-2-carbonyl)amino]methyl]phenoxy]acetic acid
CID 138043891
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-[4-[[(4-chloro-1-methylpyrazole-5-carbonyl)-methylamino]methyl]phenoxy]acetic acid
CID 136552023
2-[4-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]acetic acid
CID 122561799
2-[4-(benzenesulfonamidomethyl)phenoxy]acetic acid
CID 23470953
2-[4-[[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]methyl]phenoxy]acetic acid
CID 77079828
2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-2-methylbutanoic acid
CID 120518633

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[5-(methanesulfonamidomethyl)furan-2-carbonyl]-methylamino]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[[[5-(methanesulfonamidomethyl)furan-2-carbonyl]-methylamino]methyl]phenoxy]acetic acid (CID 120538100) is 2-[4-[[[5-(methanesulfonamidomethyl)furan-2-carbonyl]-methylamino]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[[[5-(methanesulfonamidomethyl)furan-2-carbonyl]-methylamino]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[[[5-(methanesulfonamidomethyl)furan-2-carbonyl]-methylamino]methyl]phenoxy]acetic acid is CN(Cc1ccc(OCC(=O)O)cc1)C(=O)c1ccc(CNS(C)(=O)=O)o1.
What is the InChIKey of 2-[4-[[[5-(methanesulfonamidomethyl)furan-2-carbonyl]-methylamino]methyl]phenoxy]acetic acid?
The InChIKey is ZNXBJUANGSCGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O7S/c1-19(10-12-3-5-13(6-4-12)25-11-16(20)21)17(22)15-8-7-14(26-15)9-18-27(2,23)24/h3-8,18H,9-11H2,1-2H3,(H,20,21).
What are the key properties of 2-[4-[[[5-(methanesulfonamidomethyl)furan-2-carbonyl]-methylamino]methyl]phenoxy]acetic acid?
2-[4-[[[5-(methanesulfonamidomethyl)furan-2-carbonyl]-methylamino]methyl]phenoxy]acetic acid has a molecular weight of 396.42 g/mol, XLogP of 1.06, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[5-(methanesulfonamidomethyl)furan-2-carbonyl]-methylamino]methyl]phenoxy]acetic acid is sourced from PubChem (CID 120538100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).