2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-5-phenylmethoxy-1-benzothiophene-3-carboxamide

C22H22N2O3S — CID 170599542

IUPAC2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-5-phenylmethoxy-1-benzothiophene-3-carboxamide
SMILESCc1sc2ccc(OCc3ccccc3)cc2c1C(=O)NCC1CCC(=O)N1
InChIInChI=1S/C22H22N2O3S/c1-14-21(22(26)23-12-16-7-10-20(25)24-16)18-11-17(8-9-19(18)28-14)27-13-15-5-3-2-4-6-15/h2-6,8-9,11,16H,7,10,12-13H2,1H3,(H,23,26)(H,24,25)
InChIKeyLZMGLGMINVVETJ-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.80
Rot. Bonds6

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

2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-5-phenylmethoxy-1-benzothiophene-3-carboxamide (PubChem CID 170599542) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is 2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-5-phenylmethoxy-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-5-phenylmethoxy-1-benzothiophene-3-carboxamide
PubChem CID170599542
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC Name2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-5-phenylmethoxy-1-benzothiophene-3-carboxamide
SMILESCc1sc2ccc(OCc3ccccc3)cc2c1C(=O)NCC1CCC(=O)N1
InChIInChI=1S/C22H22N2O3S/c1-14-21(22(26)23-12-16-7-10-20(25)24-16)18-11-17(8-9-19(18)28-14)27-13-15-5-3-2-4-6-15/h2-6,8-9,11,16H,7,10,12-13H2,1H3,(H,23,26)(H,24,25)
InChIKeyLZMGLGMINVVETJ-UHFFFAOYSA-N
XLogP3.80
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[(5-oxopyrrolidin-2-yl)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

2-methyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-phenylmethoxy-1-benzothiophene-3-carboxamide
CID 170599521
N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-5-phenylmethoxy-1-benzothiophene-3-carboxamide
CID 170599515
N-(1-amino-1-oxopropan-2-yl)-2-methyl-5-phenylmethoxy-1-benzothiophene-3-carboxamide
CID 170599572
methyl 2-formyl-5-phenylmethoxy-1-benzothiophene-3-carboxylate
CID 170338688
2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379373
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379668
N-(3,3-difluoropiperidin-4-yl)-5-[(2-fluorophenyl)methoxy]-2-methyl-1-benzothiophene-3-carboxamide
CID 170599544
5-[(2-fluorophenyl)methoxy]-N-[(3R)-1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-2-methyl-1-benzothiophene-3-carboxamide
CID 175961150
formamide;2-methyl-N-(4-methyloxan-4-yl)-5-(pyridin-2-ylmethoxy)-1-benzothiophene-3-carboxamide
CID 170599603
N-[6-oxo-6-(5-oxopyrrolidin-2-yl)hexyl]-2,5-bis(phenylmethoxy)benzamide
CID 67833101
2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-1-benzofuran-7-carboxamide
CID 45182441
methyl (2R)-5-phenylmethoxy-2,3-dihydro-1H-indole-2-carboxylate
CID 57219346

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-5-phenylmethoxy-1-benzothiophene-3-carboxamide?
The IUPAC name of 2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-5-phenylmethoxy-1-benzothiophene-3-carboxamide (CID 170599542) is 2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-5-phenylmethoxy-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-5-phenylmethoxy-1-benzothiophene-3-carboxamide?
The canonical SMILES for 2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-5-phenylmethoxy-1-benzothiophene-3-carboxamide is Cc1sc2ccc(OCc3ccccc3)cc2c1C(=O)NCC1CCC(=O)N1.
What is the InChIKey of 2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-5-phenylmethoxy-1-benzothiophene-3-carboxamide?
The InChIKey is LZMGLGMINVVETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-14-21(22(26)23-12-16-7-10-20(25)24-16)18-11-17(8-9-19(18)28-14)27-13-15-5-3-2-4-6-15/h2-6,8-9,11,16H,7,10,12-13H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-5-phenylmethoxy-1-benzothiophene-3-carboxamide?
2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-5-phenylmethoxy-1-benzothiophene-3-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-5-phenylmethoxy-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 170599542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).