N-[1-hydroxy-3-phenyl-1-(1,3-thiazol-2-yl)propan-2-yl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide

C22H22N2O3S — CID 110224413

IUPACN-[1-hydroxy-3-phenyl-1-(1,3-thiazol-2-yl)propan-2-yl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCC1Cc2cc(C(=O)NC(Cc3ccccc3)C(O)c3nccs3)ccc2O1
InChIInChI=1S/C22H22N2O3S/c1-14-11-17-13-16(7-8-19(17)27-14)21(26)24-18(12-15-5-3-2-4-6-15)20(25)22-23-9-10-28-22/h2-10,13-14,18,20,25H,11-12H2,1H3,(H,24,26)
InChIKeyRWGBPZKUDUGMBN-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.54
Rot. Bonds6

About N-[1-hydroxy-3-phenyl-1-(1,3-thiazol-2-yl)propan-2-yl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide

N-[1-hydroxy-3-phenyl-1-(1,3-thiazol-2-yl)propan-2-yl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 110224413) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-[1-hydroxy-3-phenyl-1-(1,3-thiazol-2-yl)propan-2-yl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[1-hydroxy-3-phenyl-1-(1,3-thiazol-2-yl)propan-2-yl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID110224413
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC NameN-[1-hydroxy-3-phenyl-1-(1,3-thiazol-2-yl)propan-2-yl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCC1Cc2cc(C(=O)NC(Cc3ccccc3)C(O)c3nccs3)ccc2O1
InChIInChI=1S/C22H22N2O3S/c1-14-11-17-13-16(7-8-19(17)27-14)21(26)24-18(12-15-5-3-2-4-6-15)20(25)22-23-9-10-28-22/h2-10,13-14,18,20,25H,11-12H2,1H3,(H,24,26)
InChIKeyRWGBPZKUDUGMBN-UHFFFAOYSA-N
XLogP3.54
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-hydroxy-3-phenyl-1-(1,3-thiazol-2-yl)propan-2-yl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-hydroxy-3-phenyl-1-(1,3-thiazol-2-yl)propan-2-yl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-[1-hydroxy-3-phenyl-1-(1,3-thiazol-2-yl)propan-2-yl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide (CID 110224413) is N-[1-hydroxy-3-phenyl-1-(1,3-thiazol-2-yl)propan-2-yl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-[1-hydroxy-3-phenyl-1-(1,3-thiazol-2-yl)propan-2-yl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-[1-hydroxy-3-phenyl-1-(1,3-thiazol-2-yl)propan-2-yl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide is CC1Cc2cc(C(=O)NC(Cc3ccccc3)C(O)c3nccs3)ccc2O1.
What is the InChIKey of N-[1-hydroxy-3-phenyl-1-(1,3-thiazol-2-yl)propan-2-yl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is RWGBPZKUDUGMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-14-11-17-13-16(7-8-19(17)27-14)21(26)24-18(12-15-5-3-2-4-6-15)20(25)22-23-9-10-28-22/h2-10,13-14,18,20,25H,11-12H2,1H3,(H,24,26).
What are the key properties of N-[1-hydroxy-3-phenyl-1-(1,3-thiazol-2-yl)propan-2-yl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide?
N-[1-hydroxy-3-phenyl-1-(1,3-thiazol-2-yl)propan-2-yl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-hydroxy-3-phenyl-1-(1,3-thiazol-2-yl)propan-2-yl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 110224413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).