N-[(2-phenylmethoxy-4-pyridinyl)methyl]-2-(thiophene-2-carbonyl)benzamide

C25H20N2O3S — CID 55962347

IUPACN-[(2-phenylmethoxy-4-pyridinyl)methyl]-2-(thiophene-2-carbonyl)benzamide
SMILESO=C(NCc1ccnc(OCc2ccccc2)c1)c1ccccc1C(=O)c1cccs1
InChIInChI=1S/C25H20N2O3S/c28-24(22-11-6-14-31-22)20-9-4-5-10-21(20)25(29)27-16-19-12-13-26-23(15-19)30-17-18-7-2-1-3-8-18/h1-15H,16-17H2,(H,27,29)
InChIKeyNGACVTLMVCXGIY-UHFFFAOYSA-N
MW428.51 g/mol
LogP4.88
Rot. Bonds8

About N-[(2-phenylmethoxy-4-pyridinyl)methyl]-2-(thiophene-2-carbonyl)benzamide

N-[(2-phenylmethoxy-4-pyridinyl)methyl]-2-(thiophene-2-carbonyl)benzamide (PubChem CID 55962347) has the molecular formula C25H20N2O3S and a molecular weight of 428.51 g/mol. Its IUPAC name is N-[(2-phenylmethoxy-4-pyridinyl)methyl]-2-(thiophene-2-carbonyl)benzamide.

Molecular Properties

Compound NameN-[(2-phenylmethoxy-4-pyridinyl)methyl]-2-(thiophene-2-carbonyl)benzamide
PubChem CID55962347
Molecular FormulaC25H20N2O3S
Molecular Weight428.51 g/mol
Exact Mass428.12
IUPAC NameN-[(2-phenylmethoxy-4-pyridinyl)methyl]-2-(thiophene-2-carbonyl)benzamide
SMILESO=C(NCc1ccnc(OCc2ccccc2)c1)c1ccccc1C(=O)c1cccs1
InChIInChI=1S/C25H20N2O3S/c28-24(22-11-6-14-31-22)20-9-4-5-10-21(20)25(29)27-16-19-12-13-26-23(15-19)30-17-18-7-2-1-3-8-18/h1-15H,16-17H2,(H,27,29)
InChIKeyNGACVTLMVCXGIY-UHFFFAOYSA-N
XLogP4.88
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-(thiophene-2-carbonyl)benzamide
CID 11960719
N-methyl-N-[2-oxo-2-[(2-phenylmethoxy-4-pyridinyl)methylamino]ethyl]thiophene-2-carboxamide
CID 55716009
2-iodo-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
CID 46469673
N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
CID 46466541
N-[(2-phenylmethoxy-4-pyridinyl)methyl]-4-(trifluoromethyl)benzamide
CID 46469686
2-(thiophene-2-carbonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 39948631
N-[(2-phenylmethoxy-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
CID 47057026
N-[(2-phenylmethoxy-4-pyridinyl)methyl]furan-3-carboxamide
CID 46475605
5-methyl-4-nitro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]thiophene-2-carboxamide
CID 46476097
2-(4-chlorophenyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide
CID 55707148
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide
CID 55707253
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-(thiophene-2-carbonyl)benzamide
CID 55972154

Frequently Asked Questions

What is the IUPAC name of N-[(2-phenylmethoxy-4-pyridinyl)methyl]-2-(thiophene-2-carbonyl)benzamide?
The IUPAC name of N-[(2-phenylmethoxy-4-pyridinyl)methyl]-2-(thiophene-2-carbonyl)benzamide (CID 55962347) is N-[(2-phenylmethoxy-4-pyridinyl)methyl]-2-(thiophene-2-carbonyl)benzamide.
What is the SMILES notation for N-[(2-phenylmethoxy-4-pyridinyl)methyl]-2-(thiophene-2-carbonyl)benzamide?
The canonical SMILES for N-[(2-phenylmethoxy-4-pyridinyl)methyl]-2-(thiophene-2-carbonyl)benzamide is O=C(NCc1ccnc(OCc2ccccc2)c1)c1ccccc1C(=O)c1cccs1.
What is the InChIKey of N-[(2-phenylmethoxy-4-pyridinyl)methyl]-2-(thiophene-2-carbonyl)benzamide?
The InChIKey is NGACVTLMVCXGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O3S/c28-24(22-11-6-14-31-22)20-9-4-5-10-21(20)25(29)27-16-19-12-13-26-23(15-19)30-17-18-7-2-1-3-8-18/h1-15H,16-17H2,(H,27,29).
What are the key properties of N-[(2-phenylmethoxy-4-pyridinyl)methyl]-2-(thiophene-2-carbonyl)benzamide?
N-[(2-phenylmethoxy-4-pyridinyl)methyl]-2-(thiophene-2-carbonyl)benzamide has a molecular weight of 428.51 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenylmethoxy-4-pyridinyl)methyl]-2-(thiophene-2-carbonyl)benzamide is sourced from PubChem (CID 55962347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).