2-[[2,2-dimethyl-3-[(2-phenylphenyl)methyl]-3,4-dihydrochromen-6-yl]sulfonylamino]acetic acid

C26H27NO5S — CID 67354624

IUPAC2-[[2,2-dimethyl-3-[(2-phenylphenyl)methyl]-3,4-dihydrochromen-6-yl]sulfonylamino]acetic acid
SMILESCC1(C)Oc2ccc(S(=O)(=O)NCC(=O)O)cc2CC1Cc1ccccc1-c1ccccc1
InChIInChI=1S/C26H27NO5S/c1-26(2)21(14-19-10-6-7-11-23(19)18-8-4-3-5-9-18)15-20-16-22(12-13-24(20)32-26)33(30,31)27-17-25(28)29/h3-13,16,21,27H,14-15,17H2,1-2H3,(H,28,29)
InChIKeySAEOUEJXDYBUBH-UHFFFAOYSA-N
MW465.57 g/mol
LogP4.29
Rot. Bonds7

About 2-[[2,2-dimethyl-3-[(2-phenylphenyl)methyl]-3,4-dihydrochromen-6-yl]sulfonylamino]acetic acid

2-[[2,2-dimethyl-3-[(2-phenylphenyl)methyl]-3,4-dihydrochromen-6-yl]sulfonylamino]acetic acid (PubChem CID 67354624) has the molecular formula C26H27NO5S and a molecular weight of 465.57 g/mol. Its IUPAC name is 2-[[2,2-dimethyl-3-[(2-phenylphenyl)methyl]-3,4-dihydrochromen-6-yl]sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[[2,2-dimethyl-3-[(2-phenylphenyl)methyl]-3,4-dihydrochromen-6-yl]sulfonylamino]acetic acid
PubChem CID67354624
Molecular FormulaC26H27NO5S
Molecular Weight465.57 g/mol
Exact Mass465.16
IUPAC Name2-[[2,2-dimethyl-3-[(2-phenylphenyl)methyl]-3,4-dihydrochromen-6-yl]sulfonylamino]acetic acid
SMILESCC1(C)Oc2ccc(S(=O)(=O)NCC(=O)O)cc2CC1Cc1ccccc1-c1ccccc1
InChIInChI=1S/C26H27NO5S/c1-26(2)21(14-19-10-6-7-11-23(19)18-8-4-3-5-9-18)15-20-16-22(12-13-24(20)32-26)33(30,31)27-17-25(28)29/h3-13,16,21,27H,14-15,17H2,1-2H3,(H,28,29)
InChIKeySAEOUEJXDYBUBH-UHFFFAOYSA-N
XLogP4.29
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.57
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2,2-dimethyl-3-[(2-phenylphenyl)methyl]-3,4-dihydrochromen-6-yl]sulfonylamino]acetic acid?
The IUPAC name of 2-[[2,2-dimethyl-3-[(2-phenylphenyl)methyl]-3,4-dihydrochromen-6-yl]sulfonylamino]acetic acid (CID 67354624) is 2-[[2,2-dimethyl-3-[(2-phenylphenyl)methyl]-3,4-dihydrochromen-6-yl]sulfonylamino]acetic acid.
What is the SMILES notation for 2-[[2,2-dimethyl-3-[(2-phenylphenyl)methyl]-3,4-dihydrochromen-6-yl]sulfonylamino]acetic acid?
The canonical SMILES for 2-[[2,2-dimethyl-3-[(2-phenylphenyl)methyl]-3,4-dihydrochromen-6-yl]sulfonylamino]acetic acid is CC1(C)Oc2ccc(S(=O)(=O)NCC(=O)O)cc2CC1Cc1ccccc1-c1ccccc1.
What is the InChIKey of 2-[[2,2-dimethyl-3-[(2-phenylphenyl)methyl]-3,4-dihydrochromen-6-yl]sulfonylamino]acetic acid?
The InChIKey is SAEOUEJXDYBUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO5S/c1-26(2)21(14-19-10-6-7-11-23(19)18-8-4-3-5-9-18)15-20-16-22(12-13-24(20)32-26)33(30,31)27-17-25(28)29/h3-13,16,21,27H,14-15,17H2,1-2H3,(H,28,29).
What are the key properties of 2-[[2,2-dimethyl-3-[(2-phenylphenyl)methyl]-3,4-dihydrochromen-6-yl]sulfonylamino]acetic acid?
2-[[2,2-dimethyl-3-[(2-phenylphenyl)methyl]-3,4-dihydrochromen-6-yl]sulfonylamino]acetic acid has a molecular weight of 465.57 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,2-dimethyl-3-[(2-phenylphenyl)methyl]-3,4-dihydrochromen-6-yl]sulfonylamino]acetic acid is sourced from PubChem (CID 67354624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).