N-[[4-(dipropylamino)phenyl]methylideneamino]thiophene-2-carboxamide

C18H23N3OS — CID 1215797

IUPACN-[[4-(dipropylamino)phenyl]methylideneamino]thiophene-2-carboxamide
SMILESCCCN(CCC)c1ccc(C=NNC(=O)c2cccs2)cc1
InChIInChI=1S/C18H23N3OS/c1-3-11-21(12-4-2)16-9-7-15(8-10-16)14-19-20-18(22)17-6-5-13-23-17/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,20,22)
InChIKeyXLLGLSAXPNRNED-UHFFFAOYSA-N
MW329.47 g/mol
LogP4.14
Rot. Bonds8

About N-[[4-(dipropylamino)phenyl]methylideneamino]thiophene-2-carboxamide

N-[[4-(dipropylamino)phenyl]methylideneamino]thiophene-2-carboxamide (PubChem CID 1215797) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is N-[[4-(dipropylamino)phenyl]methylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(dipropylamino)phenyl]methylideneamino]thiophene-2-carboxamide
PubChem CID1215797
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC NameN-[[4-(dipropylamino)phenyl]methylideneamino]thiophene-2-carboxamide
SMILESCCCN(CCC)c1ccc(C=NNC(=O)c2cccs2)cc1
InChIInChI=1S/C18H23N3OS/c1-3-11-21(12-4-2)16-9-7-15(8-10-16)14-19-20-18(22)17-6-5-13-23-17/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,20,22)
InChIKeyXLLGLSAXPNRNED-UHFFFAOYSA-N
XLogP4.14
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(Z)-[4-(diethylamino)phenyl]methylideneamino]thiophene-2-carboxamide
CID 5402047
N-[[4-(dimethylamino)phenyl]methylideneamino]thiophene-2-carboxamide
CID 773960
N-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 6869036
N-[(E)-(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide
CID 6878439
N-[(E)-3-[(2Z)-2-[[4-(dipropylamino)phenyl]methylidene]hydrazinyl]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 6385489
N-[(Z)-[5-(diethylamino)furan-2-yl]methylideneamino]thiophene-2-carboxamide
CID 5426374
N-[(E)-(4-nitrophenyl)methylideneamino]thiophene-2-carboxamide
CID 6869209
N-[(E)-butylideneamino]thiophene-2-carboxamide
CID 6114128
[4-[4-[(thiophene-2-carbonylhydrazinylidene)methyl]phenyl]phenyl] acetate
CID 1177176
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 6904011
N-[(Z)-(5-methylfuran-2-yl)methylideneamino]thiophene-2-carboxamide
CID 5390300
N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 5402013

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dipropylamino)phenyl]methylideneamino]thiophene-2-carboxamide?
The IUPAC name of N-[[4-(dipropylamino)phenyl]methylideneamino]thiophene-2-carboxamide (CID 1215797) is N-[[4-(dipropylamino)phenyl]methylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for N-[[4-(dipropylamino)phenyl]methylideneamino]thiophene-2-carboxamide?
The canonical SMILES for N-[[4-(dipropylamino)phenyl]methylideneamino]thiophene-2-carboxamide is CCCN(CCC)c1ccc(C=NNC(=O)c2cccs2)cc1.
What is the InChIKey of N-[[4-(dipropylamino)phenyl]methylideneamino]thiophene-2-carboxamide?
The InChIKey is XLLGLSAXPNRNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-3-11-21(12-4-2)16-9-7-15(8-10-16)14-19-20-18(22)17-6-5-13-23-17/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,20,22).
What are the key properties of N-[[4-(dipropylamino)phenyl]methylideneamino]thiophene-2-carboxamide?
N-[[4-(dipropylamino)phenyl]methylideneamino]thiophene-2-carboxamide has a molecular weight of 329.47 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dipropylamino)phenyl]methylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 1215797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).