N-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]-5-methyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide

C24H26N2O4S — CID 45234882

IUPACN-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]-5-methyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
SMILESCOc1cc(CN(Cc2cccnc2)C(=O)c2ccc(C)s2)ccc1OC1CCOC1
InChIInChI=1S/C24H26N2O4S/c1-17-5-8-23(31-17)24(27)26(15-19-4-3-10-25-13-19)14-18-6-7-21(22(12-18)28-2)30-20-9-11-29-16-20/h3-8,10,12-13,20H,9,11,14-16H2,1-2H3
InChIKeyLUZYQPSPOQLUFB-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.47
Rot. Bonds8

About N-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]-5-methyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide

N-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]-5-methyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide (PubChem CID 45234882) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]-5-methyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]-5-methyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
PubChem CID45234882
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC NameN-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]-5-methyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
SMILESCOc1cc(CN(Cc2cccnc2)C(=O)c2ccc(C)s2)ccc1OC1CCOC1
InChIInChI=1S/C24H26N2O4S/c1-17-5-8-23(31-17)24(27)26(15-19-4-3-10-25-13-19)14-18-6-7-21(22(12-18)28-2)30-20-9-11-29-16-20/h3-8,10,12-13,20H,9,11,14-16H2,1-2H3
InChIKeyLUZYQPSPOQLUFB-UHFFFAOYSA-N
XLogP4.47
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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]-2,3-dimethyl-N-(pyridin-3-ylmethyl)-1H-indole-5-carboxamide
CID 45236153
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-[(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]-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 45190737
N-[[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-3-ylmethyl)-2-thiophen-3-ylacetamide
CID 26340017
(E)-3-(2-chlorophenyl)-N-[[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 42366526
5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxy-N-(pyridin-3-ylmethyl)anilino]-2-(trifluoromethyl)benzoic acid
CID 10323212
5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 29087477
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
4-methoxy-3-(oxolan-3-yloxy)-N-(pyridin-3-ylmethyl)aniline
CID 22747705

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]-5-methyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of N-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]-5-methyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide (CID 45234882) is N-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]-5-methyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]-5-methyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for N-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]-5-methyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide is COc1cc(CN(Cc2cccnc2)C(=O)c2ccc(C)s2)ccc1OC1CCOC1.
What is the InChIKey of N-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]-5-methyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide?
The InChIKey is LUZYQPSPOQLUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-17-5-8-23(31-17)24(27)26(15-19-4-3-10-25-13-19)14-18-6-7-21(22(12-18)28-2)30-20-9-11-29-16-20/h3-8,10,12-13,20H,9,11,14-16H2,1-2H3.
What are the key properties of N-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]-5-methyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide?
N-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]-5-methyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide has a molecular weight of 438.55 g/mol, XLogP of 4.47, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]-5-methyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 45234882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).