(2S)-2-[[8-(cyclopentylcarbamoylamino)dibenzofuran-3-yl]sulfonylamino]-3-methylbutanoic acid

C23H27N3O6S — CID 25263239

IUPAC(2S)-2-[[8-(cyclopentylcarbamoylamino)dibenzofuran-3-yl]sulfonylamino]-3-methylbutanoic acid
SMILESCC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(NC(=O)NC3CCCC3)cc12)C(=O)O
InChIInChI=1S/C23H27N3O6S/c1-13(2)21(22(27)28)26-33(30,31)16-8-9-17-18-11-15(7-10-19(18)32-20(17)12-16)25-23(29)24-14-5-3-4-6-14/h7-14,21,26H,3-6H2,1-2H3,(H,27,28)(H2,24,25,29)/t21-/m0/s1
InChIKeyLDOSBGUASYKJNO-NRFANRHFSA-N
MW473.55 g/mol
LogP4.04
Rot. Bonds7

About (2S)-2-[[8-(cyclopentylcarbamoylamino)dibenzofuran-3-yl]sulfonylamino]-3-methylbutanoic acid

(2S)-2-[[8-(cyclopentylcarbamoylamino)dibenzofuran-3-yl]sulfonylamino]-3-methylbutanoic acid (PubChem CID 25263239) has the molecular formula C23H27N3O6S and a molecular weight of 473.55 g/mol. Its IUPAC name is (2S)-2-[[8-(cyclopentylcarbamoylamino)dibenzofuran-3-yl]sulfonylamino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-[[8-(cyclopentylcarbamoylamino)dibenzofuran-3-yl]sulfonylamino]-3-methylbutanoic acid
PubChem CID25263239
Molecular FormulaC23H27N3O6S
Molecular Weight473.55 g/mol
Exact Mass473.16
IUPAC Name(2S)-2-[[8-(cyclopentylcarbamoylamino)dibenzofuran-3-yl]sulfonylamino]-3-methylbutanoic acid
SMILESCC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(NC(=O)NC3CCCC3)cc12)C(=O)O
InChIInChI=1S/C23H27N3O6S/c1-13(2)21(22(27)28)26-33(30,31)16-8-9-17-18-11-15(7-10-19(18)32-20(17)12-16)25-23(29)24-14-5-3-4-6-14/h7-14,21,26H,3-6H2,1-2H3,(H,27,28)(H2,24,25,29)/t21-/m0/s1
InChIKeyLDOSBGUASYKJNO-NRFANRHFSA-N
XLogP4.04
TPSA137.74 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 54.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[8-(cyclopentylcarbamoylamino)dibenzofuran-3-yl]sulfonylamino]-3-methylbutanoic acid?
The IUPAC name of (2S)-2-[[8-(cyclopentylcarbamoylamino)dibenzofuran-3-yl]sulfonylamino]-3-methylbutanoic acid (CID 25263239) is (2S)-2-[[8-(cyclopentylcarbamoylamino)dibenzofuran-3-yl]sulfonylamino]-3-methylbutanoic acid.
What is the SMILES notation for (2S)-2-[[8-(cyclopentylcarbamoylamino)dibenzofuran-3-yl]sulfonylamino]-3-methylbutanoic acid?
The canonical SMILES for (2S)-2-[[8-(cyclopentylcarbamoylamino)dibenzofuran-3-yl]sulfonylamino]-3-methylbutanoic acid is CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(NC(=O)NC3CCCC3)cc12)C(=O)O.
What is the InChIKey of (2S)-2-[[8-(cyclopentylcarbamoylamino)dibenzofuran-3-yl]sulfonylamino]-3-methylbutanoic acid?
The InChIKey is LDOSBGUASYKJNO-NRFANRHFSA-N. The full InChI is InChI=1S/C23H27N3O6S/c1-13(2)21(22(27)28)26-33(30,31)16-8-9-17-18-11-15(7-10-19(18)32-20(17)12-16)25-23(29)24-14-5-3-4-6-14/h7-14,21,26H,3-6H2,1-2H3,(H,27,28)(H2,24,25,29)/t21-/m0/s1.
What are the key properties of (2S)-2-[[8-(cyclopentylcarbamoylamino)dibenzofuran-3-yl]sulfonylamino]-3-methylbutanoic acid?
(2S)-2-[[8-(cyclopentylcarbamoylamino)dibenzofuran-3-yl]sulfonylamino]-3-methylbutanoic acid has a molecular weight of 473.55 g/mol, XLogP of 4.04, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[8-(cyclopentylcarbamoylamino)dibenzofuran-3-yl]sulfonylamino]-3-methylbutanoic acid is sourced from PubChem (CID 25263239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).