N-[(Z)-1-(5-chlorothiophen-2-yl)butylideneamino]thiophene-2-carboxamide

C13H13ClN2OS2 — CID 6517677

IUPACN-[(Z)-1-(5-chlorothiophen-2-yl)butylideneamino]thiophene-2-carboxamide
SMILESCCC/C(=N/NC(=O)c1cccs1)c1ccc(Cl)s1
InChIInChI=1S/C13H13ClN2OS2/c1-2-4-9(10-6-7-12(14)19-10)15-16-13(17)11-5-3-8-18-11/h3,5-8H,2,4H2,1H3,(H,16,17)/b15-9-
InChIKeyUIBJPXZBDNESGU-DHDCSXOGSA-N
MW312.85 g/mol
LogP4.40
Rot. Bonds5

About N-[(Z)-1-(5-chlorothiophen-2-yl)butylideneamino]thiophene-2-carboxamide

N-[(Z)-1-(5-chlorothiophen-2-yl)butylideneamino]thiophene-2-carboxamide (PubChem CID 6517677) has the molecular formula C13H13ClN2OS2 and a molecular weight of 312.85 g/mol. Its IUPAC name is N-[(Z)-1-(5-chlorothiophen-2-yl)butylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(5-chlorothiophen-2-yl)butylideneamino]thiophene-2-carboxamide
PubChem CID6517677
Molecular FormulaC13H13ClN2OS2
Molecular Weight312.85 g/mol
Exact Mass312.02
IUPAC NameN-[(Z)-1-(5-chlorothiophen-2-yl)butylideneamino]thiophene-2-carboxamide
SMILESCCC/C(=N/NC(=O)c1cccs1)c1ccc(Cl)s1
InChIInChI=1S/C13H13ClN2OS2/c1-2-4-9(10-6-7-12(14)19-10)15-16-13(17)11-5-3-8-18-11/h3,5-8H,2,4H2,1H3,(H,16,17)/b15-9-
InChIKeyUIBJPXZBDNESGU-DHDCSXOGSA-N
XLogP4.40
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.85
LogP ≤ 54.40
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)-pentan-2-ylideneamino]thiophene-2-carboxamide
CID 6088045
6-bromo-3-chloro-N-(1-thiophen-2-ylbutylideneamino)-1-benzothiophene-2-carboxamide
CID 5213778
N-[1-(4-hydroxyphenyl)propylideneamino]thiophene-2-carboxamide
CID 951050
2-methyl-N-[(Z)-1-thiophen-2-ylbutylideneamino]furan-3-carboxamide
CID 6517419
N-[(E)-1-thiophen-2-ylbutylideneamino]-1,3-benzodioxole-5-carboxamide
CID 6072763
5-chloro-N-(2-oxo-2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 58248868
5-[(Z)-C-methyl-N-(thiophene-2-carbonylamino)carbonimidoyl]thiophene-2-carboxylic acid
CID 6309805
N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]thiophene-2-carboxamide
CID 6299285
N-[[4-oxo-4-(propylamino)butan-2-ylidene]amino]thiophene-2-carboxamide
CID 3108534
N-[(E)-butylideneamino]thiophene-2-carboxamide
CID 6114128
4-cyclopentyloxy-N-[(Z)-1-thiophen-2-ylbutylideneamino]benzamide
CID 6536354
ethyl 2-methyl-3-(thiophene-2-carbonylhydrazinylidene)butanoate
CID 3467381

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(5-chlorothiophen-2-yl)butylideneamino]thiophene-2-carboxamide?
The IUPAC name of N-[(Z)-1-(5-chlorothiophen-2-yl)butylideneamino]thiophene-2-carboxamide (CID 6517677) is N-[(Z)-1-(5-chlorothiophen-2-yl)butylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(Z)-1-(5-chlorothiophen-2-yl)butylideneamino]thiophene-2-carboxamide?
The canonical SMILES for N-[(Z)-1-(5-chlorothiophen-2-yl)butylideneamino]thiophene-2-carboxamide is CCC/C(=N/NC(=O)c1cccs1)c1ccc(Cl)s1.
What is the InChIKey of N-[(Z)-1-(5-chlorothiophen-2-yl)butylideneamino]thiophene-2-carboxamide?
The InChIKey is UIBJPXZBDNESGU-DHDCSXOGSA-N. The full InChI is InChI=1S/C13H13ClN2OS2/c1-2-4-9(10-6-7-12(14)19-10)15-16-13(17)11-5-3-8-18-11/h3,5-8H,2,4H2,1H3,(H,16,17)/b15-9-.
What are the key properties of N-[(Z)-1-(5-chlorothiophen-2-yl)butylideneamino]thiophene-2-carboxamide?
N-[(Z)-1-(5-chlorothiophen-2-yl)butylideneamino]thiophene-2-carboxamide has a molecular weight of 312.85 g/mol, XLogP of 4.40, 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]thiophene-2-carboxamide is sourced from PubChem (CID 6517677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).