5-methyl-N-(4-morpholin-4-ylphenyl)thiophene-2-carboxamide

C16H18N2O2S — CID 8961115

IUPAC5-methyl-N-(4-morpholin-4-ylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)s1
InChIInChI=1S/C16H18N2O2S/c1-12-2-7-15(21-12)16(19)17-13-3-5-14(6-4-13)18-8-10-20-11-9-18/h2-7H,8-11H2,1H3,(H,17,19)
InChIKeyGCGFFXJMYGRIDS-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.15
Rot. Bonds3

About 5-methyl-N-(4-morpholin-4-ylphenyl)thiophene-2-carboxamide

5-methyl-N-(4-morpholin-4-ylphenyl)thiophene-2-carboxamide (PubChem CID 8961115) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 5-methyl-N-(4-morpholin-4-ylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(4-morpholin-4-ylphenyl)thiophene-2-carboxamide
PubChem CID8961115
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name5-methyl-N-(4-morpholin-4-ylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)s1
InChIInChI=1S/C16H18N2O2S/c1-12-2-7-15(21-12)16(19)17-13-3-5-14(6-4-13)18-8-10-20-11-9-18/h2-7H,8-11H2,1H3,(H,17,19)
InChIKeyGCGFFXJMYGRIDS-UHFFFAOYSA-N
XLogP3.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,4-dimorpholin-4-ylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 24676971
2-(methylamino)-N-(4-morpholin-4-ylphenyl)-1,3-thiazole-5-carboxamide
CID 75435971
5-methyl-N-[2-[1-(4-morpholin-4-ylphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 48681400
N-(4-aminophenyl)-5-methylthiophene-2-carboxamide
CID 22612974
4-acetyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 803418
4-morpholin-4-yl-N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]benzamide
CID 67686927
N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-5-methylthiophene-2-carboxamide
CID 4834938
5-methyl-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide
CID 52555639
N-(4-imidazol-1-ylphenyl)-5-methylthiophene-2-carboxamide
CID 37239302
(5S)-5-methyl-N-(4-morpholin-4-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 2526469
methyl 5-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]thiophene-2-carboxylate
CID 134050303
N-(4-ethylphenyl)-5-methylthiophene-2-carboxamide
CID 42992010

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-morpholin-4-ylphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-(4-morpholin-4-ylphenyl)thiophene-2-carboxamide (CID 8961115) is 5-methyl-N-(4-morpholin-4-ylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(4-morpholin-4-ylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-(4-morpholin-4-ylphenyl)thiophene-2-carboxamide is Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)s1.
What is the InChIKey of 5-methyl-N-(4-morpholin-4-ylphenyl)thiophene-2-carboxamide?
The InChIKey is GCGFFXJMYGRIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-12-2-7-15(21-12)16(19)17-13-3-5-14(6-4-13)18-8-10-20-11-9-18/h2-7H,8-11H2,1H3,(H,17,19).
What are the key properties of 5-methyl-N-(4-morpholin-4-ylphenyl)thiophene-2-carboxamide?
5-methyl-N-(4-morpholin-4-ylphenyl)thiophene-2-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-morpholin-4-ylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 8961115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).