2-methyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-phenylmethoxy-1-benzothiophene-3-carboxamide

C22H22N2O4S — CID 170599521

IUPAC2-methyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-phenylmethoxy-1-benzothiophene-3-carboxamide
SMILESCc1sc2ccc(OCc3ccccc3)cc2c1C(=O)NCCN1CCOC1=O
InChIInChI=1S/C22H22N2O4S/c1-15-20(21(25)23-9-10-24-11-12-27-22(24)26)18-13-17(7-8-19(18)29-15)28-14-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,23,25)
InChIKeyDBLZPDHUXZZQMD-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.97
Rot. Bonds7

About 2-methyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-phenylmethoxy-1-benzothiophene-3-carboxamide

2-methyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-phenylmethoxy-1-benzothiophene-3-carboxamide (PubChem CID 170599521) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is 2-methyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-phenylmethoxy-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-phenylmethoxy-1-benzothiophene-3-carboxamide
PubChem CID170599521
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC Name2-methyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-phenylmethoxy-1-benzothiophene-3-carboxamide
SMILESCc1sc2ccc(OCc3ccccc3)cc2c1C(=O)NCCN1CCOC1=O
InChIInChI=1S/C22H22N2O4S/c1-15-20(21(25)23-9-10-24-11-12-27-22(24)26)18-13-17(7-8-19(18)29-15)28-14-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,23,25)
InChIKeyDBLZPDHUXZZQMD-UHFFFAOYSA-N
XLogP3.97
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-phenylmethoxy-1-benzothiophene-3-carboxamide with MolForge

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Related Compounds

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-phenylmethoxy-1-benzothiophene-3-carboxamide
CID 170599515
N-(1-amino-1-oxopropan-2-yl)-2-methyl-5-phenylmethoxy-1-benzothiophene-3-carboxamide
CID 170599572
5-[(2-fluorophenyl)methoxy]-N-[(3R)-1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-2-methyl-1-benzothiophene-3-carboxamide
CID 175961150
2-(4-methylphenyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]acetamide
CID 110707245
methyl 2-formyl-5-phenylmethoxy-1-benzothiophene-3-carboxylate
CID 170338688
2-(3-methoxyphenyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]acetamide
CID 110719290
formamide;2-methyl-N-(4-methyloxan-4-yl)-5-(pyridin-2-ylmethoxy)-1-benzothiophene-3-carboxamide
CID 170599603
3,5-dimethyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-benzofuran-2-carboxamide
CID 25310202
3-chloro-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzamide
CID 110707208
1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-(4-phenylmethoxyphenyl)urea
CID 2810884
N-(3-morpholin-4-ylpropyl)-4-phenylmethoxybenzamide
CID 17459626

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-phenylmethoxy-1-benzothiophene-3-carboxamide?
The IUPAC name of 2-methyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-phenylmethoxy-1-benzothiophene-3-carboxamide (CID 170599521) is 2-methyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-phenylmethoxy-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-phenylmethoxy-1-benzothiophene-3-carboxamide?
The canonical SMILES for 2-methyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-phenylmethoxy-1-benzothiophene-3-carboxamide is Cc1sc2ccc(OCc3ccccc3)cc2c1C(=O)NCCN1CCOC1=O.
What is the InChIKey of 2-methyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-phenylmethoxy-1-benzothiophene-3-carboxamide?
The InChIKey is DBLZPDHUXZZQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4S/c1-15-20(21(25)23-9-10-24-11-12-27-22(24)26)18-13-17(7-8-19(18)29-15)28-14-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,23,25).
What are the key properties of 2-methyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-phenylmethoxy-1-benzothiophene-3-carboxamide?
2-methyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-phenylmethoxy-1-benzothiophene-3-carboxamide has a molecular weight of 410.50 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-phenylmethoxy-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 170599521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).