N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-3,4-dimethylbenzamide

C17H20N2OS — CID 4681796

IUPACN-[1-(5-ethylthiophen-2-yl)ethylideneamino]-3,4-dimethylbenzamide
SMILESCCc1ccc(C(C)=NNC(=O)c2ccc(C)c(C)c2)s1
InChIInChI=1S/C17H20N2OS/c1-5-15-8-9-16(21-15)13(4)18-19-17(20)14-7-6-11(2)12(3)10-14/h6-10H,5H2,1-4H3,(H,19,20)
InChIKeyLYCGGOCKRJYALI-UHFFFAOYSA-N
MW300.43 g/mol
LogP4.08
Rot. Bonds4

About N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-3,4-dimethylbenzamide

N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-3,4-dimethylbenzamide (PubChem CID 4681796) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[1-(5-ethylthiophen-2-yl)ethylideneamino]-3,4-dimethylbenzamide
PubChem CID4681796
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC NameN-[1-(5-ethylthiophen-2-yl)ethylideneamino]-3,4-dimethylbenzamide
SMILESCCc1ccc(C(C)=NNC(=O)c2ccc(C)c(C)c2)s1
InChIInChI=1S/C17H20N2OS/c1-5-15-8-9-16(21-15)13(4)18-19-17(20)14-7-6-11(2)12(3)10-14/h6-10H,5H2,1-4H3,(H,19,20)
InChIKeyLYCGGOCKRJYALI-UHFFFAOYSA-N
XLogP4.08
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[1-(5-ethylthiophen-2-yl)ethylideneamino]-4-hydroxybenzamide
CID 5253057
ethyl N-[1-(5-ethylthiophen-2-yl)ethylideneamino]carbamate
CID 3848888
3,4-dimethyl-N-[(E)-1-(4-propylphenyl)ethylideneamino]benzamide
CID 19685204
N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3377350
N,N'-bis[1-(5-ethylthiophen-2-yl)ethylideneamino]octanediamide
CID 4155317
3,4-dimethyl-N-[1-(4-phenylphenyl)ethylideneamino]benzamide
CID 4588942
N-[(E)-hexan-2-ylideneamino]-3,4-dimethylbenzamide
CID 19685456
4-(diethylamino)-N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]benzamide
CID 7929054
N-[(E)-1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]-3,4-dimethylbenzamide
CID 135679501
3-methoxy-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]-4-propoxybenzamide
CID 9154377
N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-4-methylbenzamide
CID 6306205
4-bromo-N-[1-(5-methylthiophen-2-yl)ethylideneamino]benzamide
CID 4232826

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-3,4-dimethylbenzamide?
The IUPAC name of N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-3,4-dimethylbenzamide (CID 4681796) is N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-3,4-dimethylbenzamide?
The canonical SMILES for N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-3,4-dimethylbenzamide is CCc1ccc(C(C)=NNC(=O)c2ccc(C)c(C)c2)s1.
What is the InChIKey of N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-3,4-dimethylbenzamide?
The InChIKey is LYCGGOCKRJYALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-5-15-8-9-16(21-15)13(4)18-19-17(20)14-7-6-11(2)12(3)10-14/h6-10H,5H2,1-4H3,(H,19,20).
What are the key properties of N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-3,4-dimethylbenzamide?
N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-3,4-dimethylbenzamide has a molecular weight of 300.43 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-3,4-dimethylbenzamide is sourced from PubChem (CID 4681796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).