formamide;2-methyl-N-(4-methyloxan-4-yl)-5-(pyridin-2-ylmethoxy)-1-benzothiophene-3-carboxamide

C23H27N3O4S — CID 170599603

IUPACformamide;2-methyl-N-(4-methyloxan-4-yl)-5-(pyridin-2-ylmethoxy)-1-benzothiophene-3-carboxamide
SMILESCc1sc2ccc(OCc3ccccn3)cc2c1C(=O)NC1(C)CCOCC1.NC=O
InChIInChI=1S/C22H24N2O3S.CH3NO/c1-15-20(21(25)24-22(2)8-11-26-12-9-22)18-13-17(6-7-19(18)28-15)27-14-16-5-3-4-10-23-16;2-1-3/h3-7,10,13H,8-9,11-12,14H2,1-2H3,(H,24,25);1H,(H2,2,3)
InChIKeyUIEASSGPDMCYSU-UHFFFAOYSA-N
MW441.55 g/mol
LogP3.58
Rot. Bonds5

About formamide;2-methyl-N-(4-methyloxan-4-yl)-5-(pyridin-2-ylmethoxy)-1-benzothiophene-3-carboxamide

formamide;2-methyl-N-(4-methyloxan-4-yl)-5-(pyridin-2-ylmethoxy)-1-benzothiophene-3-carboxamide (PubChem CID 170599603) has the molecular formula C23H27N3O4S and a molecular weight of 441.55 g/mol. Its IUPAC name is formamide;2-methyl-N-(4-methyloxan-4-yl)-5-(pyridin-2-ylmethoxy)-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Nameformamide;2-methyl-N-(4-methyloxan-4-yl)-5-(pyridin-2-ylmethoxy)-1-benzothiophene-3-carboxamide
PubChem CID170599603
Molecular FormulaC23H27N3O4S
Molecular Weight441.55 g/mol
Exact Mass441.17
IUPAC Nameformamide;2-methyl-N-(4-methyloxan-4-yl)-5-(pyridin-2-ylmethoxy)-1-benzothiophene-3-carboxamide
SMILESCc1sc2ccc(OCc3ccccn3)cc2c1C(=O)NC1(C)CCOCC1.NC=O
InChIInChI=1S/C22H24N2O3S.CH3NO/c1-15-20(21(25)24-22(2)8-11-26-12-9-22)18-13-17(6-7-19(18)28-15)27-14-16-5-3-4-10-23-16;2-1-3/h3-7,10,13H,8-9,11-12,14H2,1-2H3,(H,24,25);1H,(H2,2,3)
InChIKeyUIEASSGPDMCYSU-UHFFFAOYSA-N
XLogP3.58
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze formamide;2-methyl-N-(4-methyloxan-4-yl)-5-(pyridin-2-ylmethoxy)-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

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
4-[[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methylamino]methyl]oxan-4-ol
CID 119115046
3-methyl-N-[3-(pyridin-2-ylmethoxy)phenyl]-1-benzothiophene-2-carboxamide
CID 38669121
2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-5-phenylmethoxy-1-benzothiophene-3-carboxamide
CID 170599542
N-[3-(hydroxymethyl)-2-oxopiperidin-3-yl]-2-methyl-5-(pyridin-2-ylmethoxy)-1-benzofuran-3-carboxamide
CID 163380037
ethyl 6-(pyridin-2-ylmethoxy)-1-benzothiophene-2-carboxylate
CID 169229591
N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-5-[(2-methylpyrimidin-4-yl)methoxy]-1-benzofuran-3-carboxamide
CID 163380766
N-[(2-methyloxolan-2-yl)methyl]-1-[3-(pyridin-2-ylmethoxy)phenyl]methanamine
CID 119160323
methyl 1-[4-(pyridin-2-ylmethoxy)phenyl]cyclopropane-1-carboxylate
CID 169171763
N-(3-carbamoyloxetan-3-yl)-2-methyl-5-(pyridin-2-ylmethoxy)furo[2,3-c]pyridine-3-carboxamide
CID 170599700
(2S,4R)-N-[[2-methoxy-4-(pyridin-2-ylmethoxy)phenyl]methyl]-3,3,9-trimethyl-8-thiatricyclo[4.3.0.02,4]nona-1(9),6-diene-7-carboxamide
CID 11525196

Frequently Asked Questions

What is the IUPAC name of formamide;2-methyl-N-(4-methyloxan-4-yl)-5-(pyridin-2-ylmethoxy)-1-benzothiophene-3-carboxamide?
The IUPAC name of formamide;2-methyl-N-(4-methyloxan-4-yl)-5-(pyridin-2-ylmethoxy)-1-benzothiophene-3-carboxamide (CID 170599603) is formamide;2-methyl-N-(4-methyloxan-4-yl)-5-(pyridin-2-ylmethoxy)-1-benzothiophene-3-carboxamide.
What is the SMILES notation for formamide;2-methyl-N-(4-methyloxan-4-yl)-5-(pyridin-2-ylmethoxy)-1-benzothiophene-3-carboxamide?
The canonical SMILES for formamide;2-methyl-N-(4-methyloxan-4-yl)-5-(pyridin-2-ylmethoxy)-1-benzothiophene-3-carboxamide is Cc1sc2ccc(OCc3ccccn3)cc2c1C(=O)NC1(C)CCOCC1.NC=O.
What is the InChIKey of formamide;2-methyl-N-(4-methyloxan-4-yl)-5-(pyridin-2-ylmethoxy)-1-benzothiophene-3-carboxamide?
The InChIKey is UIEASSGPDMCYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S.CH3NO/c1-15-20(21(25)24-22(2)8-11-26-12-9-22)18-13-17(6-7-19(18)28-15)27-14-16-5-3-4-10-23-16;2-1-3/h3-7,10,13H,8-9,11-12,14H2,1-2H3,(H,24,25);1H,(H2,2,3).
What are the key properties of formamide;2-methyl-N-(4-methyloxan-4-yl)-5-(pyridin-2-ylmethoxy)-1-benzothiophene-3-carboxamide?
formamide;2-methyl-N-(4-methyloxan-4-yl)-5-(pyridin-2-ylmethoxy)-1-benzothiophene-3-carboxamide has a molecular weight of 441.55 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formamide;2-methyl-N-(4-methyloxan-4-yl)-5-(pyridin-2-ylmethoxy)-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 170599603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).