N-[2-(3,4-dimethoxyphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

C25H28N2O4S — CID 20855299

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)cc1OC
InChIInChI=1S/C25H28N2O4S/c1-29-21-9-8-18(16-22(21)30-2)10-11-26-24(28)23-17-20(19-6-4-3-5-7-19)25(32-23)27-12-14-31-15-13-27/h3-9,16-17H,10-15H2,1-2H3,(H,26,28)
InChIKeyRAARENJMKIWLRF-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.24
Rot. Bonds8

About N-[2-(3,4-dimethoxyphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (PubChem CID 20855299) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
PubChem CID20855299
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)cc1OC
InChIInChI=1S/C25H28N2O4S/c1-29-21-9-8-18(16-22(21)30-2)10-11-26-24(28)23-17-20(19-6-4-3-5-7-19)25(32-23)27-12-14-31-15-13-27/h3-9,16-17H,10-15H2,1-2H3,(H,26,28)
InChIKeyRAARENJMKIWLRF-UHFFFAOYSA-N
XLogP4.24
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(Morpholin-4-YL)-4-phenyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]thiophene-2-carboxamide
CID 20855296
N-[2-(3,4-diethoxyphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 20855303
N-[(2H-1,3-Benzodioxol-5-YL)methyl]-5-(morpholin-4-YL)-4-phenylthiophene-2-carboxamide
CID 20854922
5-Benzyl-2-{[(3,4-diethoxyphenyl)acetyl]amino}-3-thiophenecarboxamide
CID 998792
N-[2-(N-[1-(3,4-dimethoxyphenyl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 3215760
N-[3-[(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]benzamide
CID 3534612
N-{5-ethyl-3-[(3-methoxyphenyl)(4-morpholinyl)methyl]-2-thienyl}benzamide
CID 3542314
N-{3-[(2,6-dimethyl-4-morpholinyl)methyl]-4,5-dimethyl-2-thienyl}-4-methoxybenzamide
CID 4108282
N-(3-((4-(2-hydroxyethyl)piperazin-1-yl)(4-methoxyphenyl)methyl)-4,5-dimethylthiophen-2-yl)benzamide
CID 4564099
N-{3-[(4-ethoxyphenyl)(4-methylpiperazin-1-yl)methyl]-4,5-dimethylthiophen-2-yl}benzamide
CID 4671763
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-ethyl-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-carboxamide
CID 16008956
N-[2-(3,4-dimethoxyphenyl)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 16010508

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (CID 20855299) is N-[2-(3,4-dimethoxyphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is COc1ccc(CCNC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The InChIKey is RAARENJMKIWLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-29-21-9-8-18(16-22(21)30-2)10-11-26-24(28)23-17-20(19-6-4-3-5-7-19)25(32-23)27-12-14-31-15-13-27/h3-9,16-17H,10-15H2,1-2H3,(H,26,28).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide has a molecular weight of 452.58 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is sourced from PubChem (CID 20855299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).