6-(dimethylamino)-N-[2-[4-(hydroxymethyl)phenyl]phenyl]sulfinyl-1-benzofuran-2-carboxamide

C24H22N2O4S — CID 155244705

IUPAC6-(dimethylamino)-N-[2-[4-(hydroxymethyl)phenyl]phenyl]sulfinyl-1-benzofuran-2-carboxamide
SMILESCN(C)c1ccc2cc(C(=O)NS(=O)c3ccccc3-c3ccc(CO)cc3)oc2c1
InChIInChI=1S/C24H22N2O4S/c1-26(2)19-12-11-18-13-22(30-21(18)14-19)24(28)25-31(29)23-6-4-3-5-20(23)17-9-7-16(15-27)8-10-17/h3-14,27H,15H2,1-2H3,(H,25,28)
InChIKeyJDCOHDYVFBYVFD-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.11
Rot. Bonds6

About 6-(dimethylamino)-N-[2-[4-(hydroxymethyl)phenyl]phenyl]sulfinyl-1-benzofuran-2-carboxamide

6-(dimethylamino)-N-[2-[4-(hydroxymethyl)phenyl]phenyl]sulfinyl-1-benzofuran-2-carboxamide (PubChem CID 155244705) has the molecular formula C24H22N2O4S and a molecular weight of 434.52 g/mol. Its IUPAC name is 6-(dimethylamino)-N-[2-[4-(hydroxymethyl)phenyl]phenyl]sulfinyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name6-(dimethylamino)-N-[2-[4-(hydroxymethyl)phenyl]phenyl]sulfinyl-1-benzofuran-2-carboxamide
PubChem CID155244705
Molecular FormulaC24H22N2O4S
Molecular Weight434.52 g/mol
Exact Mass434.13
IUPAC Name6-(dimethylamino)-N-[2-[4-(hydroxymethyl)phenyl]phenyl]sulfinyl-1-benzofuran-2-carboxamide
SMILESCN(C)c1ccc2cc(C(=O)NS(=O)c3ccccc3-c3ccc(CO)cc3)oc2c1
InChIInChI=1S/C24H22N2O4S/c1-26(2)19-12-11-18-13-22(30-21(18)14-19)24(28)25-31(29)23-6-4-3-5-20(23)17-9-7-16(15-27)8-10-17/h3-14,27H,15H2,1-2H3,(H,25,28)
InChIKeyJDCOHDYVFBYVFD-UHFFFAOYSA-N
XLogP4.11
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-N-[2-[4-(hydroxymethyl)phenyl]phenyl]sulfinyl-1-benzofuran-2-carboxamide?
The IUPAC name of 6-(dimethylamino)-N-[2-[4-(hydroxymethyl)phenyl]phenyl]sulfinyl-1-benzofuran-2-carboxamide (CID 155244705) is 6-(dimethylamino)-N-[2-[4-(hydroxymethyl)phenyl]phenyl]sulfinyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 6-(dimethylamino)-N-[2-[4-(hydroxymethyl)phenyl]phenyl]sulfinyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 6-(dimethylamino)-N-[2-[4-(hydroxymethyl)phenyl]phenyl]sulfinyl-1-benzofuran-2-carboxamide is CN(C)c1ccc2cc(C(=O)NS(=O)c3ccccc3-c3ccc(CO)cc3)oc2c1.
What is the InChIKey of 6-(dimethylamino)-N-[2-[4-(hydroxymethyl)phenyl]phenyl]sulfinyl-1-benzofuran-2-carboxamide?
The InChIKey is JDCOHDYVFBYVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4S/c1-26(2)19-12-11-18-13-22(30-21(18)14-19)24(28)25-31(29)23-6-4-3-5-20(23)17-9-7-16(15-27)8-10-17/h3-14,27H,15H2,1-2H3,(H,25,28).
What are the key properties of 6-(dimethylamino)-N-[2-[4-(hydroxymethyl)phenyl]phenyl]sulfinyl-1-benzofuran-2-carboxamide?
6-(dimethylamino)-N-[2-[4-(hydroxymethyl)phenyl]phenyl]sulfinyl-1-benzofuran-2-carboxamide has a molecular weight of 434.52 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-N-[2-[4-(hydroxymethyl)phenyl]phenyl]sulfinyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 155244705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).