N-[[4-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide

C27H25N3O4S — CID 55887705

IUPACN-[[4-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
SMILESCCOc1ccc(Oc2cc(CNC(=O)c3ccc(CNC(=O)c4cccs4)cc3)ccn2)cc1
InChIInChI=1S/C27H25N3O4S/c1-2-33-22-9-11-23(12-10-22)34-25-16-20(13-14-28-25)18-29-26(31)21-7-5-19(6-8-21)17-30-27(32)24-4-3-15-35-24/h3-16H,2,17-18H2,1H3,(H,29,31)(H,30,32)
InChIKeyKLFBHDXBLMJTGW-UHFFFAOYSA-N
MW487.58 g/mol
LogP5.19
Rot. Bonds10

About N-[[4-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide

N-[[4-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide (PubChem CID 55887705) has the molecular formula C27H25N3O4S and a molecular weight of 487.58 g/mol. Its IUPAC name is N-[[4-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
PubChem CID55887705
Molecular FormulaC27H25N3O4S
Molecular Weight487.58 g/mol
Exact Mass487.16
IUPAC NameN-[[4-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
SMILESCCOc1ccc(Oc2cc(CNC(=O)c3ccc(CNC(=O)c4cccs4)cc3)ccn2)cc1
InChIInChI=1S/C27H25N3O4S/c1-2-33-22-9-11-23(12-10-22)34-25-16-20(13-14-28-25)18-29-26(31)21-7-5-19(6-8-21)17-30-27(32)24-4-3-15-35-24/h3-16H,2,17-18H2,1H3,(H,29,31)(H,30,32)
InChIKeyKLFBHDXBLMJTGW-UHFFFAOYSA-N
XLogP5.19
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.58
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[4-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide with MolForge

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Related Compounds

2-ethoxy-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]pyridine-3-carboxamide
CID 55886671
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 47063435
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-3,5-dimethoxy-4-methylbenzamide
CID 55887692
N-[[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 46491498
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 47063430
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-naphthalen-1-ylacetamide
CID 55888076
N-[(2-ethoxy-4-pyridinyl)methyl]-6-phenoxypyridine-3-carboxamide
CID 78899959
2,4-dichloro-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]benzamide
CID 55888077
N-[[4-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55753151
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-fluoro-2-methylbenzamide
CID 55888466
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 120703944

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[4-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide (CID 55887705) is N-[[4-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[4-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[4-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide is CCOc1ccc(Oc2cc(CNC(=O)c3ccc(CNC(=O)c4cccs4)cc3)ccn2)cc1.
What is the InChIKey of N-[[4-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is KLFBHDXBLMJTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O4S/c1-2-33-22-9-11-23(12-10-22)34-25-16-20(13-14-28-25)18-29-26(31)21-7-5-19(6-8-21)17-30-27(32)24-4-3-15-35-24/h3-16H,2,17-18H2,1H3,(H,29,31)(H,30,32).
What are the key properties of N-[[4-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide?
N-[[4-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 487.58 g/mol, XLogP of 5.19, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 55887705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).