5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[[4-(2-pyridin-2-ylethoxy)phenyl]methyl]thiophene-2-carboxamide

C25H28N2O3S — CID 26280109

IUPAC5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[[4-(2-pyridin-2-ylethoxy)phenyl]methyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)N(Cc2ccc(OCCc3ccccn3)cc2)C[C@H]2CCCO2)s1
InChIInChI=1S/C25H28N2O3S/c1-19-7-12-24(31-19)25(28)27(18-23-6-4-15-29-23)17-20-8-10-22(11-9-20)30-16-13-21-5-2-3-14-26-21/h2-3,5,7-12,14,23H,4,6,13,15-18H2,1H3/t23-/m1/s1
InChIKeyGLYHOJKNSSIRBH-HSZRJFAPSA-N
MW436.58 g/mol
LogP4.89
Rot. Bonds9

About 5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[[4-(2-pyridin-2-ylethoxy)phenyl]methyl]thiophene-2-carboxamide

5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[[4-(2-pyridin-2-ylethoxy)phenyl]methyl]thiophene-2-carboxamide (PubChem CID 26280109) has the molecular formula C25H28N2O3S and a molecular weight of 436.58 g/mol. Its IUPAC name is 5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[[4-(2-pyridin-2-ylethoxy)phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[[4-(2-pyridin-2-ylethoxy)phenyl]methyl]thiophene-2-carboxamide
PubChem CID26280109
Molecular FormulaC25H28N2O3S
Molecular Weight436.58 g/mol
Exact Mass436.18
IUPAC Name5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[[4-(2-pyridin-2-ylethoxy)phenyl]methyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)N(Cc2ccc(OCCc3ccccn3)cc2)C[C@H]2CCCO2)s1
InChIInChI=1S/C25H28N2O3S/c1-19-7-12-24(31-19)25(28)27(18-23-6-4-15-29-23)17-20-8-10-22(11-9-20)30-16-13-21-5-2-3-14-26-21/h2-3,5,7-12,14,23H,4,6,13,15-18H2,1H3/t23-/m1/s1
InChIKeyGLYHOJKNSSIRBH-HSZRJFAPSA-N
XLogP4.89
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyran-2-carboxamide
CID 99953564
2,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 95149228
3-(4-methyl-1,3-thiazol-5-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)propanamide
CID 96577763
N-[[4-(dimethylamino)phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-4-propoxybenzamide
CID 40639547
2-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 95129192
N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 45220485
2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 96574084
N-[(4-methoxyphenyl)methyl]-2,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyridine-4-carboxamide
CID 99940692
1,4,7-trimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide
CID 46979247
4-(5-amino-3-methylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 92613637
5-methyl-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 26353603
3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)propanamide
CID 99928643

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[[4-(2-pyridin-2-ylethoxy)phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[[4-(2-pyridin-2-ylethoxy)phenyl]methyl]thiophene-2-carboxamide (CID 26280109) is 5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[[4-(2-pyridin-2-ylethoxy)phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[[4-(2-pyridin-2-ylethoxy)phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[[4-(2-pyridin-2-ylethoxy)phenyl]methyl]thiophene-2-carboxamide is Cc1ccc(C(=O)N(Cc2ccc(OCCc3ccccn3)cc2)C[C@H]2CCCO2)s1.
What is the InChIKey of 5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[[4-(2-pyridin-2-ylethoxy)phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is GLYHOJKNSSIRBH-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H28N2O3S/c1-19-7-12-24(31-19)25(28)27(18-23-6-4-15-29-23)17-20-8-10-22(11-9-20)30-16-13-21-5-2-3-14-26-21/h2-3,5,7-12,14,23H,4,6,13,15-18H2,1H3/t23-/m1/s1.
What are the key properties of 5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[[4-(2-pyridin-2-ylethoxy)phenyl]methyl]thiophene-2-carboxamide?
5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[[4-(2-pyridin-2-ylethoxy)phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 436.58 g/mol, XLogP of 4.89, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[[4-(2-pyridin-2-ylethoxy)phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 26280109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).