N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-5-phenylmethoxy-1-benzothiophene-3-carboxamide

C23H25NO4S — CID 170599515

IUPACN-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-5-phenylmethoxy-1-benzothiophene-3-carboxamide
SMILESCc1sc2ccc(OCc3ccccc3)cc2c1C(=O)NC1(CO)CCOCC1
InChIInChI=1S/C23H25NO4S/c1-16-21(22(26)24-23(15-25)9-11-27-12-10-23)19-13-18(7-8-20(19)29-16)28-14-17-5-3-2-4-6-17/h2-8,13,25H,9-12,14-15H2,1H3,(H,24,26)
InChIKeyDLYYXZCUEVDPDG-UHFFFAOYSA-N
MW411.52 g/mol
LogP4.06
Rot. Bonds6

About N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-5-phenylmethoxy-1-benzothiophene-3-carboxamide

N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-5-phenylmethoxy-1-benzothiophene-3-carboxamide (PubChem CID 170599515) has the molecular formula C23H25NO4S and a molecular weight of 411.52 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-5-phenylmethoxy-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-5-phenylmethoxy-1-benzothiophene-3-carboxamide
PubChem CID170599515
Molecular FormulaC23H25NO4S
Molecular Weight411.52 g/mol
Exact Mass411.15
IUPAC NameN-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-5-phenylmethoxy-1-benzothiophene-3-carboxamide
SMILESCc1sc2ccc(OCc3ccccc3)cc2c1C(=O)NC1(CO)CCOCC1
InChIInChI=1S/C23H25NO4S/c1-16-21(22(26)24-23(15-25)9-11-27-12-10-23)19-13-18(7-8-20(19)29-16)28-14-17-5-3-2-4-6-17/h2-8,13,25H,9-12,14-15H2,1H3,(H,24,26)
InChIKeyDLYYXZCUEVDPDG-UHFFFAOYSA-N
XLogP4.06
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-5-phenylmethoxy-1-benzothiophene-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

formamide;2-methyl-N-(4-methyloxan-4-yl)-5-(pyridin-2-ylmethoxy)-1-benzothiophene-3-carboxamide
CID 170599603
N-(1-amino-1-oxopropan-2-yl)-2-methyl-5-phenylmethoxy-1-benzothiophene-3-carboxamide
CID 170599572
2-methyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-phenylmethoxy-1-benzothiophene-3-carboxamide
CID 170599521
2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-5-phenylmethoxy-1-benzothiophene-3-carboxamide
CID 170599542
N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-5-[(5-methylpyrazin-2-yl)methoxy]-1-benzofuran-3-carboxamide
CID 163380239
N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-5-[(2-methylpyrimidin-4-yl)methoxy]-1-benzofuran-3-carboxamide
CID 163380766
N-[4-(hydroxymethyl)oxan-4-yl]-5-(2-hydroxy-1-phenylethoxy)-2-methyl-1-benzofuran-3-carboxamide
CID 163379368
methyl 2-formyl-5-phenylmethoxy-1-benzothiophene-3-carboxylate
CID 170338688
N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-5-[(2-methylpyrazol-3-yl)methoxy]indazole-3-carboxamide
CID 170602682
N-[1-(hydroxymethyl)cyclobutyl]-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide
CID 163381037
5-[(2-fluorophenyl)methoxy]-N-[1-(hydroxymethyl)cyclopropyl]-2-methyl-1-benzofuran-3-carboxamide
CID 163379307
N-[4-(hydroxymethyl)oxan-4-yl]naphthalene-2-carboxamide
CID 103954237

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-5-phenylmethoxy-1-benzothiophene-3-carboxamide?
The IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-5-phenylmethoxy-1-benzothiophene-3-carboxamide (CID 170599515) is N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-5-phenylmethoxy-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-5-phenylmethoxy-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-5-phenylmethoxy-1-benzothiophene-3-carboxamide is Cc1sc2ccc(OCc3ccccc3)cc2c1C(=O)NC1(CO)CCOCC1.
What is the InChIKey of N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-5-phenylmethoxy-1-benzothiophene-3-carboxamide?
The InChIKey is DLYYXZCUEVDPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4S/c1-16-21(22(26)24-23(15-25)9-11-27-12-10-23)19-13-18(7-8-20(19)29-16)28-14-17-5-3-2-4-6-17/h2-8,13,25H,9-12,14-15H2,1H3,(H,24,26).
What are the key properties of N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-5-phenylmethoxy-1-benzothiophene-3-carboxamide?
N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-5-phenylmethoxy-1-benzothiophene-3-carboxamide has a molecular weight of 411.52 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-5-phenylmethoxy-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 170599515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).