N-(2-methyl-4-morpholin-4-ylphenyl)thiophene-3-carboxamide

C16H18N2O2S — CID 39267225

IUPACN-(2-methyl-4-morpholin-4-ylphenyl)thiophene-3-carboxamide
SMILESCc1cc(N2CCOCC2)ccc1NC(=O)c1ccsc1
InChIInChI=1S/C16H18N2O2S/c1-12-10-14(18-5-7-20-8-6-18)2-3-15(12)17-16(19)13-4-9-21-11-13/h2-4,9-11H,5-8H2,1H3,(H,17,19)
InChIKeyNQYMRTYYSUAVAJ-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.15
Rot. Bonds3

About N-(2-methyl-4-morpholin-4-ylphenyl)thiophene-3-carboxamide

N-(2-methyl-4-morpholin-4-ylphenyl)thiophene-3-carboxamide (PubChem CID 39267225) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-(2-methyl-4-morpholin-4-ylphenyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-4-morpholin-4-ylphenyl)thiophene-3-carboxamide
PubChem CID39267225
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-(2-methyl-4-morpholin-4-ylphenyl)thiophene-3-carboxamide
SMILESCc1cc(N2CCOCC2)ccc1NC(=O)c1ccsc1
InChIInChI=1S/C16H18N2O2S/c1-12-10-14(18-5-7-20-8-6-18)2-3-15(12)17-16(19)13-4-9-21-11-13/h2-4,9-11H,5-8H2,1H3,(H,17,19)
InChIKeyNQYMRTYYSUAVAJ-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-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]thiophene-3-carboxamide
CID 78802774
1-tert-butyl-3-(2-methyl-4-morpholin-4-ylphenyl)urea
CID 78896475
4,5-dichloro-1-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)pyrrole-2-carboxamide
CID 154773651
4-bromo-N-(2-methyl-4-morpholin-4-ylphenyl)-1H-pyrrole-2-carboxamide
CID 55620636
1-(2-chlorophenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)pyrazole-4-carboxamide
CID 49159995
6-methyl-2-(methylamino)-N-(2-methyl-4-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
CID 136539683
3-[(2-methyl-4-morpholin-4-ylphenyl)carbamoyl]-4-phenylbenzoic acid
CID 90893627
N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 18158969
N-(2,4-dimorpholin-4-ylphenyl)-6-methylpyridine-3-carboxamide
CID 18149073
4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 42157583
4-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-methyl-4-morpholin-4-ylphenyl)benzamide
CID 37317926
(2R)-2-(2-methyl-4-morpholin-4-ylanilino)-1-morpholin-4-ylpropan-1-one
CID 94114537

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-morpholin-4-ylphenyl)thiophene-3-carboxamide?
The IUPAC name of N-(2-methyl-4-morpholin-4-ylphenyl)thiophene-3-carboxamide (CID 39267225) is N-(2-methyl-4-morpholin-4-ylphenyl)thiophene-3-carboxamide.
What is the SMILES notation for N-(2-methyl-4-morpholin-4-ylphenyl)thiophene-3-carboxamide?
The canonical SMILES for N-(2-methyl-4-morpholin-4-ylphenyl)thiophene-3-carboxamide is Cc1cc(N2CCOCC2)ccc1NC(=O)c1ccsc1.
What is the InChIKey of N-(2-methyl-4-morpholin-4-ylphenyl)thiophene-3-carboxamide?
The InChIKey is NQYMRTYYSUAVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-12-10-14(18-5-7-20-8-6-18)2-3-15(12)17-16(19)13-4-9-21-11-13/h2-4,9-11H,5-8H2,1H3,(H,17,19).
What are the key properties of N-(2-methyl-4-morpholin-4-ylphenyl)thiophene-3-carboxamide?
N-(2-methyl-4-morpholin-4-ylphenyl)thiophene-3-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 N-(2-methyl-4-morpholin-4-ylphenyl)thiophene-3-carboxamide is sourced from PubChem (CID 39267225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).