5-methyl-N-[1-[4-(propanoylamino)phenyl]ethylideneamino]thiophene-2-carboxamide

C17H19N3O2S — CID 841194

IUPAC5-methyl-N-[1-[4-(propanoylamino)phenyl]ethylideneamino]thiophene-2-carboxamide
SMILESCCC(=O)Nc1ccc(C(C)=NNC(=O)c2ccc(C)s2)cc1
InChIInChI=1S/C17H19N3O2S/c1-4-16(21)18-14-8-6-13(7-9-14)12(3)19-20-17(22)15-10-5-11(2)23-15/h5-10H,4H2,1-3H3,(H,18,21)(H,20,22)
InChIKeyFVWUEHALPKFUBT-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.56
Rot. Bonds5

About 5-methyl-N-[1-[4-(propanoylamino)phenyl]ethylideneamino]thiophene-2-carboxamide

5-methyl-N-[1-[4-(propanoylamino)phenyl]ethylideneamino]thiophene-2-carboxamide (PubChem CID 841194) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 5-methyl-N-[1-[4-(propanoylamino)phenyl]ethylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[1-[4-(propanoylamino)phenyl]ethylideneamino]thiophene-2-carboxamide
PubChem CID841194
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name5-methyl-N-[1-[4-(propanoylamino)phenyl]ethylideneamino]thiophene-2-carboxamide
SMILESCCC(=O)Nc1ccc(C(C)=NNC(=O)c2ccc(C)s2)cc1
InChIInChI=1S/C17H19N3O2S/c1-4-16(21)18-14-8-6-13(7-9-14)12(3)19-20-17(22)15-10-5-11(2)23-15/h5-10H,4H2,1-3H3,(H,18,21)(H,20,22)
InChIKeyFVWUEHALPKFUBT-UHFFFAOYSA-N
XLogP3.56
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.56
H-Bond Donors ≤ 52
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

5-methyl-N-[4-[C-methyl-N-[(5-methylthiophene-2-carbonyl)amino]carbonimidoyl]phenyl]thiophene-2-carboxamide
CID 3448356
3,5-dimethoxy-N-[1-[4-(propanoylamino)phenyl]ethylideneamino]benzamide
CID 1018787
4-bromo-1,5-dimethyl-N-[1-[4-[(5-methylthiophene-2-carbonyl)amino]phenyl]ethylideneamino]pyrazole-3-carboxamide
CID 4218595
N-[(Z)-1-[3-(2-ethylbutanoylamino)phenyl]ethylideneamino]-5-methylthiophene-2-carboxamide
CID 6002491
N-[(E)-butan-2-ylideneamino]-4-(propanoylamino)benzamide
CID 40539272
N-[(5-methylthiophen-2-yl)methylideneamino]-4-(propanoylamino)benzamide
CID 832654
4-(dimethylamino)-N-[(E)-1-(5-methylthiophen-2-yl)ethylideneamino]benzamide
CID 6152424
4-bromo-N-[1-(5-methylthiophen-2-yl)ethylideneamino]benzamide
CID 4232826
N-(4-ethylphenyl)-5-methylthiophene-2-carboxamide
CID 42992010
3-chloro-N-[(Z)-1-[4-[(5-chlorothiophene-2-carbonyl)amino]phenyl]ethylideneamino]-6-ethyl-1-benzothiophene-2-carboxamide
CID 28740425
2-(4-methylanilino)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]acetamide
CID 9143872
N-[3-[(Z)-N-[(3,5-dimethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]-5-methylthiophene-2-carboxamide
CID 5454915

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-[4-(propanoylamino)phenyl]ethylideneamino]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[1-[4-(propanoylamino)phenyl]ethylideneamino]thiophene-2-carboxamide (CID 841194) is 5-methyl-N-[1-[4-(propanoylamino)phenyl]ethylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[1-[4-(propanoylamino)phenyl]ethylideneamino]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[1-[4-(propanoylamino)phenyl]ethylideneamino]thiophene-2-carboxamide is CCC(=O)Nc1ccc(C(C)=NNC(=O)c2ccc(C)s2)cc1.
What is the InChIKey of 5-methyl-N-[1-[4-(propanoylamino)phenyl]ethylideneamino]thiophene-2-carboxamide?
The InChIKey is FVWUEHALPKFUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-4-16(21)18-14-8-6-13(7-9-14)12(3)19-20-17(22)15-10-5-11(2)23-15/h5-10H,4H2,1-3H3,(H,18,21)(H,20,22).
What are the key properties of 5-methyl-N-[1-[4-(propanoylamino)phenyl]ethylideneamino]thiophene-2-carboxamide?
5-methyl-N-[1-[4-(propanoylamino)phenyl]ethylideneamino]thiophene-2-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-[4-(propanoylamino)phenyl]ethylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 841194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).