N-[(Z)-1-(5-chlorothiophen-2-yl)butylideneamino]-4,5-dimethylthiophene-3-carboxamide

C15H17ClN2OS2 — CID 6521560

IUPACN-[(Z)-1-(5-chlorothiophen-2-yl)butylideneamino]-4,5-dimethylthiophene-3-carboxamide
SMILESCCC/C(=N/NC(=O)c1csc(C)c1C)c1ccc(Cl)s1
InChIInChI=1S/C15H17ClN2OS2/c1-4-5-12(13-6-7-14(16)21-13)17-18-15(19)11-8-20-10(3)9(11)2/h6-8H,4-5H2,1-3H3,(H,18,19)/b17-12-
InChIKeyXTTHNGOOCYRUKE-ATVHPVEESA-N
MW340.90 g/mol
LogP5.01
Rot. Bonds5

About N-[(Z)-1-(5-chlorothiophen-2-yl)butylideneamino]-4,5-dimethylthiophene-3-carboxamide

N-[(Z)-1-(5-chlorothiophen-2-yl)butylideneamino]-4,5-dimethylthiophene-3-carboxamide (PubChem CID 6521560) has the molecular formula C15H17ClN2OS2 and a molecular weight of 340.90 g/mol. Its IUPAC name is N-[(Z)-1-(5-chlorothiophen-2-yl)butylideneamino]-4,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(5-chlorothiophen-2-yl)butylideneamino]-4,5-dimethylthiophene-3-carboxamide
PubChem CID6521560
Molecular FormulaC15H17ClN2OS2
Molecular Weight340.90 g/mol
Exact Mass340.05
IUPAC NameN-[(Z)-1-(5-chlorothiophen-2-yl)butylideneamino]-4,5-dimethylthiophene-3-carboxamide
SMILESCCC/C(=N/NC(=O)c1csc(C)c1C)c1ccc(Cl)s1
InChIInChI=1S/C15H17ClN2OS2/c1-4-5-12(13-6-7-14(16)21-13)17-18-15(19)11-8-20-10(3)9(11)2/h6-8H,4-5H2,1-3H3,(H,18,19)/b17-12-
InChIKeyXTTHNGOOCYRUKE-ATVHPVEESA-N
XLogP5.01
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.90
LogP ≤ 55.01
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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(5-chlorothiophen-2-yl)butylideneamino]-4,5-dimethylthiophene-3-carboxamide?
The IUPAC name of N-[(Z)-1-(5-chlorothiophen-2-yl)butylideneamino]-4,5-dimethylthiophene-3-carboxamide (CID 6521560) is N-[(Z)-1-(5-chlorothiophen-2-yl)butylideneamino]-4,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for N-[(Z)-1-(5-chlorothiophen-2-yl)butylideneamino]-4,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for N-[(Z)-1-(5-chlorothiophen-2-yl)butylideneamino]-4,5-dimethylthiophene-3-carboxamide is CCC/C(=N/NC(=O)c1csc(C)c1C)c1ccc(Cl)s1.
What is the InChIKey of N-[(Z)-1-(5-chlorothiophen-2-yl)butylideneamino]-4,5-dimethylthiophene-3-carboxamide?
The InChIKey is XTTHNGOOCYRUKE-ATVHPVEESA-N. The full InChI is InChI=1S/C15H17ClN2OS2/c1-4-5-12(13-6-7-14(16)21-13)17-18-15(19)11-8-20-10(3)9(11)2/h6-8H,4-5H2,1-3H3,(H,18,19)/b17-12-.
What are the key properties of N-[(Z)-1-(5-chlorothiophen-2-yl)butylideneamino]-4,5-dimethylthiophene-3-carboxamide?
N-[(Z)-1-(5-chlorothiophen-2-yl)butylideneamino]-4,5-dimethylthiophene-3-carboxamide has a molecular weight of 340.90 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(5-chlorothiophen-2-yl)butylideneamino]-4,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 6521560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).