N-(4-methylphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

C22H22N2O2S — CID 8646887

IUPACN-(4-methylphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)cc1
InChIInChI=1S/C22H22N2O2S/c1-16-7-9-18(10-8-16)23-21(25)20-15-19(17-5-3-2-4-6-17)22(27-20)24-11-13-26-14-12-24/h2-10,15H,11-14H2,1H3,(H,23,25)
InChIKeyAKNYVJWPXMJSSF-UHFFFAOYSA-N
MW378.50 g/mol
LogP4.81
Rot. Bonds4

About N-(4-methylphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

N-(4-methylphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (PubChem CID 8646887) has the molecular formula C22H22N2O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is N-(4-methylphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
PubChem CID8646887
Molecular FormulaC22H22N2O2S
Molecular Weight378.50 g/mol
Exact Mass378.14
IUPAC NameN-(4-methylphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)cc1
InChIInChI=1S/C22H22N2O2S/c1-16-7-9-18(10-8-16)23-21(25)20-15-19(17-5-3-2-4-6-17)22(27-20)24-11-13-26-14-12-24/h2-10,15H,11-14H2,1H3,(H,23,25)
InChIKeyAKNYVJWPXMJSSF-UHFFFAOYSA-N
XLogP4.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The IUPAC name of N-(4-methylphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (CID 8646887) is N-(4-methylphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is Cc1ccc(NC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)cc1.
What is the InChIKey of N-(4-methylphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The InChIKey is AKNYVJWPXMJSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2S/c1-16-7-9-18(10-8-16)23-21(25)20-15-19(17-5-3-2-4-6-17)22(27-20)24-11-13-26-14-12-24/h2-10,15H,11-14H2,1H3,(H,23,25).
What are the key properties of N-(4-methylphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
N-(4-methylphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide has a molecular weight of 378.50 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is sourced from PubChem (CID 8646887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).