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

C24H26N2O3S — CID 26353603

IUPAC5-methyl-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
SMILESCc1ccc(C(=O)N(Cc2cccc(OC[C@H]3CCOC3)c2)Cc2ccccn2)s1
InChIInChI=1S/C24H26N2O3S/c1-18-8-9-23(30-18)24(27)26(15-21-6-2-3-11-25-21)14-19-5-4-7-22(13-19)29-17-20-10-12-28-16-20/h2-9,11,13,20H,10,12,14-17H2,1H3/t20-/m0/s1
InChIKeyPBPWAUWBVFJHFF-FQEVSTJZSA-N
MW422.55 g/mol
LogP4.71
Rot. Bonds8

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

5-methyl-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 26353603) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is 5-methyl-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
PubChem CID26353603
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC Name5-methyl-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
SMILESCc1ccc(C(=O)N(Cc2cccc(OC[C@H]3CCOC3)c2)Cc2ccccn2)s1
InChIInChI=1S/C24H26N2O3S/c1-18-8-9-23(30-18)24(27)26(15-21-6-2-3-11-25-21)14-19-5-4-7-22(13-19)29-17-20-10-12-28-16-20/h2-9,11,13,20H,10,12,14-17H2,1H3/t20-/m0/s1
InChIKeyPBPWAUWBVFJHFF-FQEVSTJZSA-N
XLogP4.71
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 42274795
4-methyl-N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)-1,2,5-oxadiazole-3-carboxamide
CID 45205532
3,5-dimethoxy-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 42319962
2,3-dimethyl-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)-1H-indole-5-carboxamide
CID 42166452
3-fluoro-N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 45205894
N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)cyclobutanecarboxamide
CID 42277857
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)acetamide
CID 45175320
N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]-4-pyrazol-1-yl-N-(pyridin-2-ylmethyl)benzamide
CID 45220438
3-(3-fluorophenyl)-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 26340235
5-chloro-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide
CID 42171813
N-[[3-[[(1R)-cyclohex-3-en-1-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 26349493
N-[[3-(1,3-benzodioxol-5-ylmethoxy)phenyl]methyl]-2-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 118756509

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide (CID 26353603) is 5-methyl-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide is Cc1ccc(C(=O)N(Cc2cccc(OC[C@H]3CCOC3)c2)Cc2ccccn2)s1.
What is the InChIKey of 5-methyl-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is PBPWAUWBVFJHFF-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-18-8-9-23(30-18)24(27)26(15-21-6-2-3-11-25-21)14-19-5-4-7-22(13-19)29-17-20-10-12-28-16-20/h2-9,11,13,20H,10,12,14-17H2,1H3/t20-/m0/s1.
What are the key properties of 5-methyl-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide?
5-methyl-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 422.55 g/mol, XLogP of 4.71, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 26353603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).