N-(3-methyl-2-pyridinyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

C21H21N3O2S — CID 35033029

IUPACN-(3-methyl-2-pyridinyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESCc1cccnc1NC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1
InChIInChI=1S/C21H21N3O2S/c1-15-6-5-9-22-19(15)23-20(25)18-14-17(16-7-3-2-4-8-16)21(27-18)24-10-12-26-13-11-24/h2-9,14H,10-13H2,1H3,(H,22,23,25)
InChIKeyRRCCLWAKHNBUMF-UHFFFAOYSA-N
MW379.49 g/mol
LogP4.21
Rot. Bonds4

About N-(3-methyl-2-pyridinyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

N-(3-methyl-2-pyridinyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (PubChem CID 35033029) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is N-(3-methyl-2-pyridinyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-2-pyridinyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
PubChem CID35033029
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC NameN-(3-methyl-2-pyridinyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESCc1cccnc1NC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1
InChIInChI=1S/C21H21N3O2S/c1-15-6-5-9-22-19(15)23-20(25)18-14-17(16-7-3-2-4-8-16)21(27-18)24-10-12-26-13-11-24/h2-9,14H,10-13H2,1H3,(H,22,23,25)
InChIKeyRRCCLWAKHNBUMF-UHFFFAOYSA-N
XLogP4.21
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-pyridinyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The IUPAC name of N-(3-methyl-2-pyridinyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (CID 35033029) is N-(3-methyl-2-pyridinyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-methyl-2-pyridinyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The canonical SMILES for N-(3-methyl-2-pyridinyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is Cc1cccnc1NC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1.
What is the InChIKey of N-(3-methyl-2-pyridinyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The InChIKey is RRCCLWAKHNBUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-15-6-5-9-22-19(15)23-20(25)18-14-17(16-7-3-2-4-8-16)21(27-18)24-10-12-26-13-11-24/h2-9,14H,10-13H2,1H3,(H,22,23,25).
What are the key properties of N-(3-methyl-2-pyridinyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
N-(3-methyl-2-pyridinyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide has a molecular weight of 379.49 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-pyridinyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is sourced from PubChem (CID 35033029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).