N-[2-butyl-3-(4-hydroxybenzoyl)-1-benzofuran-5-yl]methanesulfonamide

C20H21NO5S — CID 70653166

IUPACN-[2-butyl-3-(4-hydroxybenzoyl)-1-benzofuran-5-yl]methanesulfonamide
SMILESCCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(O)cc1
InChIInChI=1S/C20H21NO5S/c1-3-4-5-18-19(20(23)13-6-9-15(22)10-7-13)16-12-14(21-27(2,24)25)8-11-17(16)26-18/h6-12,21-22H,3-5H2,1-2H3
InChIKeyWKFHEWCOYQNAQR-UHFFFAOYSA-N
MW387.46 g/mol
LogP4.08
Rot. Bonds7

About N-[2-butyl-3-(4-hydroxybenzoyl)-1-benzofuran-5-yl]methanesulfonamide

N-[2-butyl-3-(4-hydroxybenzoyl)-1-benzofuran-5-yl]methanesulfonamide (PubChem CID 70653166) has the molecular formula C20H21NO5S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-[2-butyl-3-(4-hydroxybenzoyl)-1-benzofuran-5-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-butyl-3-(4-hydroxybenzoyl)-1-benzofuran-5-yl]methanesulfonamide
PubChem CID70653166
Molecular FormulaC20H21NO5S
Molecular Weight387.46 g/mol
Exact Mass387.11
IUPAC NameN-[2-butyl-3-(4-hydroxybenzoyl)-1-benzofuran-5-yl]methanesulfonamide
SMILESCCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(O)cc1
InChIInChI=1S/C20H21NO5S/c1-3-4-5-18-19(20(23)13-6-9-15(22)10-7-13)16-12-14(21-27(2,24)25)8-11-17(16)26-18/h6-12,21-22H,3-5H2,1-2H3
InChIKeyWKFHEWCOYQNAQR-UHFFFAOYSA-N
XLogP4.08
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-butyl-3-(4-hydroxybenzoyl)-1-benzofuran-5-yl]methanesulfonamide?
The IUPAC name of N-[2-butyl-3-(4-hydroxybenzoyl)-1-benzofuran-5-yl]methanesulfonamide (CID 70653166) is N-[2-butyl-3-(4-hydroxybenzoyl)-1-benzofuran-5-yl]methanesulfonamide.
What is the SMILES notation for N-[2-butyl-3-(4-hydroxybenzoyl)-1-benzofuran-5-yl]methanesulfonamide?
The canonical SMILES for N-[2-butyl-3-(4-hydroxybenzoyl)-1-benzofuran-5-yl]methanesulfonamide is CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(O)cc1.
What is the InChIKey of N-[2-butyl-3-(4-hydroxybenzoyl)-1-benzofuran-5-yl]methanesulfonamide?
The InChIKey is WKFHEWCOYQNAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5S/c1-3-4-5-18-19(20(23)13-6-9-15(22)10-7-13)16-12-14(21-27(2,24)25)8-11-17(16)26-18/h6-12,21-22H,3-5H2,1-2H3.
What are the key properties of N-[2-butyl-3-(4-hydroxybenzoyl)-1-benzofuran-5-yl]methanesulfonamide?
N-[2-butyl-3-(4-hydroxybenzoyl)-1-benzofuran-5-yl]methanesulfonamide has a molecular weight of 387.46 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-butyl-3-(4-hydroxybenzoyl)-1-benzofuran-5-yl]methanesulfonamide is sourced from PubChem (CID 70653166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).