N-benzyl-3-methyl-5-[2-oxo-4-(2-phenylethoxy)-1H-pyridin-3-yl]thiophene-2-carboxamide

C26H24N2O3S — CID 68648682

IUPACN-benzyl-3-methyl-5-[2-oxo-4-(2-phenylethoxy)-1H-pyridin-3-yl]thiophene-2-carboxamide
SMILESCc1cc(-c2c(OCCc3ccccc3)cc[nH]c2=O)sc1C(=O)NCc1ccccc1
InChIInChI=1S/C26H24N2O3S/c1-18-16-22(32-24(18)26(30)28-17-20-10-6-3-7-11-20)23-21(12-14-27-25(23)29)31-15-13-19-8-4-2-5-9-19/h2-12,14,16H,13,15,17H2,1H3,(H,27,29)(H,28,30)
InChIKeyVAVOPQJWAMXEGV-UHFFFAOYSA-N
MW444.56 g/mol
LogP4.96
Rot. Bonds8

About N-benzyl-3-methyl-5-[2-oxo-4-(2-phenylethoxy)-1H-pyridin-3-yl]thiophene-2-carboxamide

N-benzyl-3-methyl-5-[2-oxo-4-(2-phenylethoxy)-1H-pyridin-3-yl]thiophene-2-carboxamide (PubChem CID 68648682) has the molecular formula C26H24N2O3S and a molecular weight of 444.56 g/mol. Its IUPAC name is N-benzyl-3-methyl-5-[2-oxo-4-(2-phenylethoxy)-1H-pyridin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-methyl-5-[2-oxo-4-(2-phenylethoxy)-1H-pyridin-3-yl]thiophene-2-carboxamide
PubChem CID68648682
Molecular FormulaC26H24N2O3S
Molecular Weight444.56 g/mol
Exact Mass444.15
IUPAC NameN-benzyl-3-methyl-5-[2-oxo-4-(2-phenylethoxy)-1H-pyridin-3-yl]thiophene-2-carboxamide
SMILESCc1cc(-c2c(OCCc3ccccc3)cc[nH]c2=O)sc1C(=O)NCc1ccccc1
InChIInChI=1S/C26H24N2O3S/c1-18-16-22(32-24(18)26(30)28-17-20-10-6-3-7-11-20)23-21(12-14-27-25(23)29)31-15-13-19-8-4-2-5-9-19/h2-12,14,16H,13,15,17H2,1H3,(H,27,29)(H,28,30)
InChIKeyVAVOPQJWAMXEGV-UHFFFAOYSA-N
XLogP4.96
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-fluorophenyl)methyl]-3-methyl-5-(2-oxo-4-phenylmethoxy-1H-pyridin-3-yl)thiophene-2-carboxamide
CID 68648843
N-[(3-fluorophenyl)methyl]-5-(4-hydroxy-2-oxo-1H-pyridin-3-yl)-3-methylthiophene-2-carboxamide
CID 68648894
N-benzyl-5-bromo-2-(2-phenylethoxy)benzamide
CID 17046109
N-benzyl-5-[4-(2-cyclopropylethoxy)-2-oxo-1-pyridinyl]-3-methylthiophene-2-carboxamide
CID 24985791
N-benzyl-4-methyl-2-[2-oxo-4-(2-phenylethyl)-1-pyridinyl]-1,3-thiazole-5-carboxamide
CID 24984128
2-phenylethyl 3-methyl-1H-pyrrole-2-carboxylate
CID 150266858
N-[3-(benzylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
CID 28638963
(E)-2-cyano-3-[3-methyl-4-(2-phenylethoxy)phenyl]-N-[(4-phenoxyphenyl)methyl]prop-2-enamide
CID 11134701
N-[2-(benzylcarbamoyl)phenyl]-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide
CID 24676616
N-benzyl-5-methyl-1H-imidazole-4-carboxamide
CID 71320720
N-benzyl-4-methoxy-3-methylbenzamide
CID 17018002
5-bromo-N-(2-methoxyethyl)-2-(2-phenylethoxy)benzamide
CID 17046177

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-methyl-5-[2-oxo-4-(2-phenylethoxy)-1H-pyridin-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-benzyl-3-methyl-5-[2-oxo-4-(2-phenylethoxy)-1H-pyridin-3-yl]thiophene-2-carboxamide (CID 68648682) is N-benzyl-3-methyl-5-[2-oxo-4-(2-phenylethoxy)-1H-pyridin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-benzyl-3-methyl-5-[2-oxo-4-(2-phenylethoxy)-1H-pyridin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-benzyl-3-methyl-5-[2-oxo-4-(2-phenylethoxy)-1H-pyridin-3-yl]thiophene-2-carboxamide is Cc1cc(-c2c(OCCc3ccccc3)cc[nH]c2=O)sc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-methyl-5-[2-oxo-4-(2-phenylethoxy)-1H-pyridin-3-yl]thiophene-2-carboxamide?
The InChIKey is VAVOPQJWAMXEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3S/c1-18-16-22(32-24(18)26(30)28-17-20-10-6-3-7-11-20)23-21(12-14-27-25(23)29)31-15-13-19-8-4-2-5-9-19/h2-12,14,16H,13,15,17H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N-benzyl-3-methyl-5-[2-oxo-4-(2-phenylethoxy)-1H-pyridin-3-yl]thiophene-2-carboxamide?
N-benzyl-3-methyl-5-[2-oxo-4-(2-phenylethoxy)-1H-pyridin-3-yl]thiophene-2-carboxamide has a molecular weight of 444.56 g/mol, XLogP of 4.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-methyl-5-[2-oxo-4-(2-phenylethoxy)-1H-pyridin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 68648682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).