5-methyl-N-[2-[1-(4-morpholin-4-ylphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide

C20H25N3O3S — CID 48681400

IUPAC5-methyl-N-[2-[1-(4-morpholin-4-ylphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)NC(C)c2ccc(N3CCOCC3)cc2)s1
InChIInChI=1S/C20H25N3O3S/c1-14-3-8-18(27-14)20(25)21-13-19(24)22-15(2)16-4-6-17(7-5-16)23-9-11-26-12-10-23/h3-8,15H,9-13H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyGMGNGDAMIAUNMY-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.50
Rot. Bonds6

About 5-methyl-N-[2-[1-(4-morpholin-4-ylphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide

5-methyl-N-[2-[1-(4-morpholin-4-ylphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 48681400) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 5-methyl-N-[2-[1-(4-morpholin-4-ylphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-[1-(4-morpholin-4-ylphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID48681400
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name5-methyl-N-[2-[1-(4-morpholin-4-ylphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)NC(C)c2ccc(N3CCOCC3)cc2)s1
InChIInChI=1S/C20H25N3O3S/c1-14-3-8-18(27-14)20(25)21-13-19(24)22-15(2)16-4-6-17(7-5-16)23-9-11-26-12-10-23/h3-8,15H,9-13H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyGMGNGDAMIAUNMY-UHFFFAOYSA-N
XLogP2.50
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,4-dimorpholin-4-ylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 24676971
5-methyl-N-(4-morpholin-4-ylphenyl)thiophene-2-carboxamide
CID 8961115
N-[2-[1-(3,4-difluorophenyl)ethylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18112632
2-[(3-methylphenyl)carbamoylamino]-N-[1-(4-morpholin-4-ylphenyl)ethyl]acetamide
CID 48681572
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18107439
N-[2-[1-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 17395356
N-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 79031640
N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 17398961
N-[1-(4-morpholin-4-ylphenyl)ethyl]-2-(thiophen-2-ylsulfonylamino)acetamide
CID 48681561
N-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 26004667
4-methyl-3-morpholin-4-yl-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide
CID 46977369
4-(5-methylthiophen-2-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-4-oxobutanamide
CID 55795204

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-[1-(4-morpholin-4-ylphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[2-[1-(4-morpholin-4-ylphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide (CID 48681400) is 5-methyl-N-[2-[1-(4-morpholin-4-ylphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-[1-(4-morpholin-4-ylphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[2-[1-(4-morpholin-4-ylphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide is Cc1ccc(C(=O)NCC(=O)NC(C)c2ccc(N3CCOCC3)cc2)s1.
What is the InChIKey of 5-methyl-N-[2-[1-(4-morpholin-4-ylphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is GMGNGDAMIAUNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-14-3-8-18(27-14)20(25)21-13-19(24)22-15(2)16-4-6-17(7-5-16)23-9-11-26-12-10-23/h3-8,15H,9-13H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of 5-methyl-N-[2-[1-(4-morpholin-4-ylphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide?
5-methyl-N-[2-[1-(4-morpholin-4-ylphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 387.51 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-[1-(4-morpholin-4-ylphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 48681400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).