N-[(4-chlorophenyl)methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

C22H21ClN2O2S — CID 20855294

IUPACN-[(4-chlorophenyl)methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cc(-c2ccccc2)c(N2CCOCC2)s1
InChIInChI=1S/C22H21ClN2O2S/c23-18-8-6-16(7-9-18)15-24-21(26)20-14-19(17-4-2-1-3-5-17)22(28-20)25-10-12-27-13-11-25/h1-9,14H,10-13,15H2,(H,24,26)
InChIKeyGRFDVPBEHGFOQR-UHFFFAOYSA-N
MW412.94 g/mol
LogP4.84
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

N-[(4-chlorophenyl)methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (PubChem CID 20855294) has the molecular formula C22H21ClN2O2S and a molecular weight of 412.94 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
PubChem CID20855294
Molecular FormulaC22H21ClN2O2S
Molecular Weight412.94 g/mol
Exact Mass412.10
IUPAC NameN-[(4-chlorophenyl)methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cc(-c2ccccc2)c(N2CCOCC2)s1
InChIInChI=1S/C22H21ClN2O2S/c23-18-8-6-16(7-9-18)15-24-21(26)20-14-19(17-4-2-1-3-5-17)22(28-20)25-10-12-27-13-11-25/h1-9,14H,10-13,15H2,(H,24,26)
InChIKeyGRFDVPBEHGFOQR-UHFFFAOYSA-N
XLogP4.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.94
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (CID 20855294) is N-[(4-chlorophenyl)methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is O=C(NCc1ccc(Cl)cc1)c1cc(-c2ccccc2)c(N2CCOCC2)s1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The InChIKey is GRFDVPBEHGFOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O2S/c23-18-8-6-16(7-9-18)15-24-21(26)20-14-19(17-4-2-1-3-5-17)22(28-20)25-10-12-27-13-11-25/h1-9,14H,10-13,15H2,(H,24,26).
What are the key properties of N-[(4-chlorophenyl)methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
N-[(4-chlorophenyl)methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide has a molecular weight of 412.94 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is sourced from PubChem (CID 20855294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).