(2R)-2-[[7-(methanesulfonamido)dibenzofuran-2-yl]sulfonylamino]-3-methylbutanoic acid

C18H20N2O7S2 — CID 25065946

IUPAC(2R)-2-[[7-(methanesulfonamido)dibenzofuran-2-yl]sulfonylamino]-3-methylbutanoic acid
SMILESCC(C)C(NS(=O)(=O)c1ccc2oc3cc(NS(C)(=O)=O)ccc3c2c1)C(=O)O
InChIInChI=1S/C18H20N2O7S2/c1-10(2)17(18(21)22)20-29(25,26)12-5-7-15-14(9-12)13-6-4-11(8-16(13)27-15)19-28(3,23)24/h4-10,17,19-20H,1-3H3,(H,21,22)
InChIKeyMFYWCBCSORYQGC-UHFFFAOYSA-N
MW440.50 g/mol
LogP2.35
Rot. Bonds7

About (2R)-2-[[7-(methanesulfonamido)dibenzofuran-2-yl]sulfonylamino]-3-methylbutanoic acid

(2R)-2-[[7-(methanesulfonamido)dibenzofuran-2-yl]sulfonylamino]-3-methylbutanoic acid (PubChem CID 25065946) has the molecular formula C18H20N2O7S2 and a molecular weight of 440.50 g/mol. Its IUPAC name is (2R)-2-[[7-(methanesulfonamido)dibenzofuran-2-yl]sulfonylamino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[[7-(methanesulfonamido)dibenzofuran-2-yl]sulfonylamino]-3-methylbutanoic acid
PubChem CID25065946
Molecular FormulaC18H20N2O7S2
Molecular Weight440.50 g/mol
Exact Mass440.07
IUPAC Name(2R)-2-[[7-(methanesulfonamido)dibenzofuran-2-yl]sulfonylamino]-3-methylbutanoic acid
SMILESCC(C)C(NS(=O)(=O)c1ccc2oc3cc(NS(C)(=O)=O)ccc3c2c1)C(=O)O
InChIInChI=1S/C18H20N2O7S2/c1-10(2)17(18(21)22)20-29(25,26)12-5-7-15-14(9-12)13-6-4-11(8-16(13)27-15)19-28(3,23)24/h4-10,17,19-20H,1-3H3,(H,21,22)
InChIKeyMFYWCBCSORYQGC-UHFFFAOYSA-N
XLogP2.35
TPSA142.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[7-(methanesulfonamido)dibenzofuran-2-yl]sulfonylamino]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[[7-(methanesulfonamido)dibenzofuran-2-yl]sulfonylamino]-3-methylbutanoic acid (CID 25065946) is (2R)-2-[[7-(methanesulfonamido)dibenzofuran-2-yl]sulfonylamino]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[[7-(methanesulfonamido)dibenzofuran-2-yl]sulfonylamino]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[[7-(methanesulfonamido)dibenzofuran-2-yl]sulfonylamino]-3-methylbutanoic acid is CC(C)C(NS(=O)(=O)c1ccc2oc3cc(NS(C)(=O)=O)ccc3c2c1)C(=O)O.
What is the InChIKey of (2R)-2-[[7-(methanesulfonamido)dibenzofuran-2-yl]sulfonylamino]-3-methylbutanoic acid?
The InChIKey is MFYWCBCSORYQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O7S2/c1-10(2)17(18(21)22)20-29(25,26)12-5-7-15-14(9-12)13-6-4-11(8-16(13)27-15)19-28(3,23)24/h4-10,17,19-20H,1-3H3,(H,21,22).
What are the key properties of (2R)-2-[[7-(methanesulfonamido)dibenzofuran-2-yl]sulfonylamino]-3-methylbutanoic acid?
(2R)-2-[[7-(methanesulfonamido)dibenzofuran-2-yl]sulfonylamino]-3-methylbutanoic acid has a molecular weight of 440.50 g/mol, XLogP of 2.35, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[7-(methanesulfonamido)dibenzofuran-2-yl]sulfonylamino]-3-methylbutanoic acid is sourced from PubChem (CID 25065946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).