N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiophene-2-carboxamide

C16H17N3O2S — CID 6906036

IUPACN-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiophene-2-carboxamide
SMILESO=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1cccs1
InChIInChI=1S/C16H17N3O2S/c20-16(15-2-1-11-22-15)18-17-12-13-3-5-14(6-4-13)19-7-9-21-10-8-19/h1-6,11-12H,7-10H2,(H,18,20)/b17-12+
InChIKeyXITDYUNZAGZCPN-SFQUDFHCSA-N
MW315.40 g/mol
LogP2.35
Rot. Bonds4

About N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiophene-2-carboxamide

N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiophene-2-carboxamide (PubChem CID 6906036) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiophene-2-carboxamide
PubChem CID6906036
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiophene-2-carboxamide
SMILESO=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1cccs1
InChIInChI=1S/C16H17N3O2S/c20-16(15-2-1-11-22-15)18-17-12-13-3-5-14(6-4-13)19-7-9-21-10-8-19/h1-6,11-12H,7-10H2,(H,18,20)/b17-12+
InChIKeyXITDYUNZAGZCPN-SFQUDFHCSA-N
XLogP2.35
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-morpholin-4-ylbenzamide
CID 135932618
2-fluoro-N-[(4-morpholin-4-ylphenyl)methylideneamino]benzamide
CID 2330481
1,3-bis[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea
CID 6905503
N-[[4-(dimethylamino)phenyl]methylideneamino]thiophene-2-carboxamide
CID 773960
N-[(E)-(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide
CID 6878439
N-[(E)-(4-nitrophenyl)methylideneamino]thiophene-2-carboxamide
CID 6869209
N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide
CID 6143229
[(4-morpholin-4-ylphenyl)methylideneamino]thiourea
CID 957717
6-amino-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]pyridine-3-carboxamide
CID 170647589
N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-3-nitrobenzamide
CID 6073510
tert-butyl N-[(4-morpholin-4-ylphenyl)methylideneamino]carbamate
CID 2692504
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]thiophene-2-carboxamide
CID 5402047

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiophene-2-carboxamide?
The IUPAC name of N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiophene-2-carboxamide (CID 6906036) is N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiophene-2-carboxamide?
The canonical SMILES for N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiophene-2-carboxamide is O=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1cccs1.
What is the InChIKey of N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiophene-2-carboxamide?
The InChIKey is XITDYUNZAGZCPN-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H17N3O2S/c20-16(15-2-1-11-22-15)18-17-12-13-3-5-14(6-4-13)19-7-9-21-10-8-19/h1-6,11-12H,7-10H2,(H,18,20)/b17-12+.
What are the key properties of N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiophene-2-carboxamide?
N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiophene-2-carboxamide has a molecular weight of 315.40 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 6906036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).