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

C24H26N2O3S — CID 42274795

IUPAC3-methyl-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)N(Cc1cccc(OC[C@@H]2CCOC2)c1)Cc1ccccn1
InChIInChI=1S/C24H26N2O3S/c1-18-9-12-30-23(18)24(27)26(15-21-6-2-3-10-25-21)14-19-5-4-7-22(13-19)29-17-20-8-11-28-16-20/h2-7,9-10,12-13,20H,8,11,14-17H2,1H3/t20-/m1/s1
InChIKeyVLDDHDVJFRJBPS-HXUWFJFHSA-N
MW422.55 g/mol
LogP4.71
Rot. Bonds8

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

3-methyl-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 42274795) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is 3-methyl-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
PubChem CID42274795
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC Name3-methyl-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)N(Cc1cccc(OC[C@@H]2CCOC2)c1)Cc1ccccn1
InChIInChI=1S/C24H26N2O3S/c1-18-9-12-30-23(18)24(27)26(15-21-6-2-3-10-25-21)14-19-5-4-7-22(13-19)29-17-20-8-11-28-16-20/h2-7,9-10,12-13,20H,8,11,14-17H2,1H3/t20-/m1/s1
InChIKeyVLDDHDVJFRJBPS-HXUWFJFHSA-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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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide (CID 42274795) is 3-methyl-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide is Cc1ccsc1C(=O)N(Cc1cccc(OC[C@@H]2CCOC2)c1)Cc1ccccn1.
What is the InChIKey of 3-methyl-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is VLDDHDVJFRJBPS-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-18-9-12-30-23(18)24(27)26(15-21-6-2-3-10-25-21)14-19-5-4-7-22(13-19)29-17-20-8-11-28-16-20/h2-7,9-10,12-13,20H,8,11,14-17H2,1H3/t20-/m1/s1.
What are the key properties of 3-methyl-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide?
3-methyl-N-[[3-[[(3R)-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 3-methyl-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 42274795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).