N-[[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-3-ylmethyl)-2-thiophen-3-ylacetamide

C24H26N2O4S — CID 26340017

IUPACN-[[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-3-ylmethyl)-2-thiophen-3-ylacetamide
SMILESCOc1cc(CN(Cc2cccnc2)C(=O)Cc2ccsc2)ccc1O[C@H]1CCOC1
InChIInChI=1S/C24H26N2O4S/c1-28-23-11-18(4-5-22(23)30-21-6-9-29-16-21)14-26(15-20-3-2-8-25-13-20)24(27)12-19-7-10-31-17-19/h2-5,7-8,10-11,13,17,21H,6,9,12,14-16H2,1H3/t21-/m0/s1
InChIKeyIBSMVPOTRMGODE-NRFANRHFSA-N
MW438.55 g/mol
LogP4.09
Rot. Bonds9

About N-[[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-3-ylmethyl)-2-thiophen-3-ylacetamide

N-[[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-3-ylmethyl)-2-thiophen-3-ylacetamide (PubChem CID 26340017) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-[[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-3-ylmethyl)-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-3-ylmethyl)-2-thiophen-3-ylacetamide
PubChem CID26340017
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC NameN-[[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-3-ylmethyl)-2-thiophen-3-ylacetamide
SMILESCOc1cc(CN(Cc2cccnc2)C(=O)Cc2ccsc2)ccc1O[C@H]1CCOC1
InChIInChI=1S/C24H26N2O4S/c1-28-23-11-18(4-5-22(23)30-21-6-9-29-16-21)14-26(15-20-3-2-8-25-13-20)24(27)12-19-7-10-31-17-19/h2-5,7-8,10-11,13,17,21H,6,9,12,14-16H2,1H3/t21-/m0/s1
InChIKeyIBSMVPOTRMGODE-NRFANRHFSA-N
XLogP4.09
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-3-ylmethyl)-2-thiophen-3-ylacetamide 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-[[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-3-ylmethyl)acetamide
CID 42481284
N-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 45233393
N-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]-5-methyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 45234882
N-[[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-4-morpholin-4-yl-N-(pyridin-3-ylmethyl)benzamide
CID 42277852
N-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
CID 45225911
N-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 45190737
(E)-3-(2-chlorophenyl)-N-[[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 42366526
N-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]-2,3-dimethyl-N-(pyridin-3-ylmethyl)-1H-indole-5-carboxamide
CID 45236153
1-N,1-N-diethyl-4-N-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-4-N-(pyridin-3-ylmethyl)benzene-1,4-diamine
CID 10433759
5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxy-N-(pyridin-3-ylmethyl)anilino]-2-(trifluoromethyl)benzoic acid
CID 10323212
N-[[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)pent-4-enamide
CID 45174309
N-[[4-methoxy-3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-3-ylmethyl)pent-4-enamide
CID 42435212

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-3-ylmethyl)-2-thiophen-3-ylacetamide?
The IUPAC name of N-[[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-3-ylmethyl)-2-thiophen-3-ylacetamide (CID 26340017) is N-[[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-3-ylmethyl)-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-3-ylmethyl)-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-3-ylmethyl)-2-thiophen-3-ylacetamide is COc1cc(CN(Cc2cccnc2)C(=O)Cc2ccsc2)ccc1O[C@H]1CCOC1.
What is the InChIKey of N-[[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-3-ylmethyl)-2-thiophen-3-ylacetamide?
The InChIKey is IBSMVPOTRMGODE-NRFANRHFSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-28-23-11-18(4-5-22(23)30-21-6-9-29-16-21)14-26(15-20-3-2-8-25-13-20)24(27)12-19-7-10-31-17-19/h2-5,7-8,10-11,13,17,21H,6,9,12,14-16H2,1H3/t21-/m0/s1.
What are the key properties of N-[[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-3-ylmethyl)-2-thiophen-3-ylacetamide?
N-[[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-3-ylmethyl)-2-thiophen-3-ylacetamide has a molecular weight of 438.55 g/mol, XLogP of 4.09, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-3-ylmethyl)-2-thiophen-3-ylacetamide is sourced from PubChem (CID 26340017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).