N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]thiophene-2-carboxamide

C17H19N3O3S — CID 2453370

IUPACN-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1cccs1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C17H19N3O3S/c21-16(12-18-17(22)15-2-1-11-24-15)19-13-3-5-14(6-4-13)20-7-9-23-10-8-20/h1-6,11H,7-10,12H2,(H,18,22)(H,19,21)
InChIKeyLWRRNMIEBXHTCV-UHFFFAOYSA-N
MW345.42 g/mol
LogP1.95
Rot. Bonds5

About N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]thiophene-2-carboxamide

N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 2453370) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]thiophene-2-carboxamide
PubChem CID2453370
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1cccs1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C17H19N3O3S/c21-16(12-18-17(22)15-2-1-11-24-15)19-13-3-5-14(6-4-13)20-7-9-23-10-8-20/h1-6,11H,7-10,12H2,(H,18,22)(H,19,21)
InChIKeyLWRRNMIEBXHTCV-UHFFFAOYSA-N
XLogP1.95
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 11711363
N-(3-fluoro-4-morpholinophenyl)-2-thiophenecarboxamide
CID 1485336
Piperazine, 1-phenyl-4-(2-thenoyl)-
CID 259478
N-[2-(morpholin-4-yl)phenyl]thiophene-3-carboxamide
CID 2813415
4-(dimethylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 3902828
4-ethyl-5-methyl-N-[2-(morpholin-4-yl)phenyl]thiophene-2-carboxamide
CID 9506651
1-{5-[(3-Anilino-1-piperidinyl)carbonyl]-2-thienyl}ethanone
CID 24791777
CID 122196547
CID 122196547
N-((4-morpholinophenyl)carbamothioyl)thiophene-2-carboxamide
CID 718042
N-(4-acetamidophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1081265
N-[[(5S)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 44403903
{4-[4-(2-Thienylcarbonyl)piperazin-1-yl]phenyl}amine
CID 1154358

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]thiophene-2-carboxamide (CID 2453370) is N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]thiophene-2-carboxamide is O=C(CNC(=O)c1cccs1)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is LWRRNMIEBXHTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c21-16(12-18-17(22)15-2-1-11-24-15)19-13-3-5-14(6-4-13)20-7-9-23-10-8-20/h1-6,11H,7-10,12H2,(H,18,22)(H,19,21).
What are the key properties of N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]thiophene-2-carboxamide?
N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 2453370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).