N-[3-(morpholin-4-ylmethyl)phenyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide

C26H30N2O3S — CID 19501220

IUPACN-[3-(morpholin-4-ylmethyl)phenyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide
SMILESCc1cc(C)c(OCc2csc(C(=O)Nc3cccc(CN4CCOCC4)c3)c2)c(C)c1
InChIInChI=1S/C26H30N2O3S/c1-18-11-19(2)25(20(3)12-18)31-16-22-14-24(32-17-22)26(29)27-23-6-4-5-21(13-23)15-28-7-9-30-10-8-28/h4-6,11-14,17H,7-10,15-16H2,1-3H3,(H,27,29)
InChIKeyFVIQQJRJFSMTAG-UHFFFAOYSA-N
MW450.60 g/mol
LogP5.34
Rot. Bonds7

About N-[3-(morpholin-4-ylmethyl)phenyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide

N-[3-(morpholin-4-ylmethyl)phenyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide (PubChem CID 19501220) has the molecular formula C26H30N2O3S and a molecular weight of 450.60 g/mol. Its IUPAC name is N-[3-(morpholin-4-ylmethyl)phenyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(morpholin-4-ylmethyl)phenyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide
PubChem CID19501220
Molecular FormulaC26H30N2O3S
Molecular Weight450.60 g/mol
Exact Mass450.20
IUPAC NameN-[3-(morpholin-4-ylmethyl)phenyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide
SMILESCc1cc(C)c(OCc2csc(C(=O)Nc3cccc(CN4CCOCC4)c3)c2)c(C)c1
InChIInChI=1S/C26H30N2O3S/c1-18-11-19(2)25(20(3)12-18)31-16-22-14-24(32-17-22)26(29)27-23-6-4-5-21(13-23)15-28-7-9-30-10-8-28/h4-6,11-14,17H,7-10,15-16H2,1-3H3,(H,27,29)
InChIKeyFVIQQJRJFSMTAG-UHFFFAOYSA-N
XLogP5.34
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.60
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-fluorophenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-carboxamide
CID 19469497
N-[3-(trifluoromethyl)phenyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19501110
4-[(2,6-dimethylphenoxy)methyl]-N-phenylthiophene-2-carboxamide
CID 19486991
4-[(3,5-dimethylphenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide
CID 19505478
N-(4-acetylphenyl)-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19501156
N-(2,5-dimethylphenyl)-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19501205
4-[(3,5-dimethylphenoxy)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide
CID 19505455
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19501218
4-[(3-methylphenoxy)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide
CID 19491150
N-[3-(morpholin-4-ylmethyl)phenyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
CID 19461431
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19501264
4-[(3,5-dimethylphenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 19505415

Frequently Asked Questions

What is the IUPAC name of N-[3-(morpholin-4-ylmethyl)phenyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(morpholin-4-ylmethyl)phenyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide (CID 19501220) is N-[3-(morpholin-4-ylmethyl)phenyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(morpholin-4-ylmethyl)phenyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(morpholin-4-ylmethyl)phenyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide is Cc1cc(C)c(OCc2csc(C(=O)Nc3cccc(CN4CCOCC4)c3)c2)c(C)c1.
What is the InChIKey of N-[3-(morpholin-4-ylmethyl)phenyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide?
The InChIKey is FVIQQJRJFSMTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3S/c1-18-11-19(2)25(20(3)12-18)31-16-22-14-24(32-17-22)26(29)27-23-6-4-5-21(13-23)15-28-7-9-30-10-8-28/h4-6,11-14,17H,7-10,15-16H2,1-3H3,(H,27,29).
What are the key properties of N-[3-(morpholin-4-ylmethyl)phenyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide?
N-[3-(morpholin-4-ylmethyl)phenyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide has a molecular weight of 450.60 g/mol, XLogP of 5.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(morpholin-4-ylmethyl)phenyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19501220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).