N-methyl-5-morpholin-4-yl-4-phenyl-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide

C23H25N3O2S — CID 134008677

IUPACN-methyl-5-morpholin-4-yl-4-phenyl-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide
SMILESCN(CCc1ccccn1)C(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1
InChIInChI=1S/C23H25N3O2S/c1-25(12-10-19-9-5-6-11-24-19)22(27)21-17-20(18-7-3-2-4-8-18)23(29-21)26-13-15-28-16-14-26/h2-9,11,17H,10,12-16H2,1H3
InChIKeyJGLBZLSFMXNNIS-UHFFFAOYSA-N
MW407.54 g/mol
LogP3.96
Rot. Bonds6

About N-methyl-5-morpholin-4-yl-4-phenyl-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide

N-methyl-5-morpholin-4-yl-4-phenyl-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide (PubChem CID 134008677) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is N-methyl-5-morpholin-4-yl-4-phenyl-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-morpholin-4-yl-4-phenyl-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide
PubChem CID134008677
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC NameN-methyl-5-morpholin-4-yl-4-phenyl-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide
SMILESCN(CCc1ccccn1)C(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1
InChIInChI=1S/C23H25N3O2S/c1-25(12-10-19-9-5-6-11-24-19)22(27)21-17-20(18-7-3-2-4-8-18)23(29-21)26-13-15-28-16-14-26/h2-9,11,17H,10,12-16H2,1H3
InChIKeyJGLBZLSFMXNNIS-UHFFFAOYSA-N
XLogP3.96
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-morpholin-4-yl-4-phenyl-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide?
The IUPAC name of N-methyl-5-morpholin-4-yl-4-phenyl-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide (CID 134008677) is N-methyl-5-morpholin-4-yl-4-phenyl-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-methyl-5-morpholin-4-yl-4-phenyl-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for N-methyl-5-morpholin-4-yl-4-phenyl-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide is CN(CCc1ccccn1)C(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1.
What is the InChIKey of N-methyl-5-morpholin-4-yl-4-phenyl-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide?
The InChIKey is JGLBZLSFMXNNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2S/c1-25(12-10-19-9-5-6-11-24-19)22(27)21-17-20(18-7-3-2-4-8-18)23(29-21)26-13-15-28-16-14-26/h2-9,11,17H,10,12-16H2,1H3.
What are the key properties of N-methyl-5-morpholin-4-yl-4-phenyl-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide?
N-methyl-5-morpholin-4-yl-4-phenyl-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide has a molecular weight of 407.54 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-morpholin-4-yl-4-phenyl-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 134008677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).