N-(3-cyano-4,5-dimethylthiophen-2-yl)-3,4-diethoxybenzamide

C18H20N2O3S — CID 43981375

IUPACN-(3-cyano-4,5-dimethylthiophen-2-yl)-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2sc(C)c(C)c2C#N)cc1OCC
InChIInChI=1S/C18H20N2O3S/c1-5-22-15-8-7-13(9-16(15)23-6-2)17(21)20-18-14(10-19)11(3)12(4)24-18/h7-9H,5-6H2,1-4H3,(H,20,21)
InChIKeyWAJLOODLBJKVMM-UHFFFAOYSA-N
MW344.44 g/mol
LogP4.29
Rot. Bonds6

About N-(3-cyano-4,5-dimethylthiophen-2-yl)-3,4-diethoxybenzamide

N-(3-cyano-4,5-dimethylthiophen-2-yl)-3,4-diethoxybenzamide (PubChem CID 43981375) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylthiophen-2-yl)-3,4-diethoxybenzamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-3,4-diethoxybenzamide
PubChem CID43981375
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2sc(C)c(C)c2C#N)cc1OCC
InChIInChI=1S/C18H20N2O3S/c1-5-22-15-8-7-13(9-16(15)23-6-2)17(21)20-18-14(10-19)11(3)12(4)24-18/h7-9H,5-6H2,1-4H3,(H,20,21)
InChIKeyWAJLOODLBJKVMM-UHFFFAOYSA-N
XLogP4.29
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-ethoxybenzamide
CID 2970676
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3,5-dimethylbenzamide
CID 969407
3-amino-4-bromo-N-(3-cyano-4,5-dimethylthiophen-2-yl)benzamide
CID 61112822
4-(bromomethyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)benzamide
CID 102850904
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3H-benzimidazole-5-carboxamide
CID 60630447
4-cyano-5-[(3,4-dimethoxybenzoyl)amino]-N,N-diethyl-3-methylthiophene-2-carboxamide
CID 1131492
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(difluoromethoxy)-3-ethoxybenzamide
CID 4867897
4-cyano-N,N-diethyl-3-methyl-5-[(3,4,5-triethoxybenzoyl)amino]thiophene-2-carboxamide
CID 3766067
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(diethylsulfamoyl)-4-fluorobenzamide
CID 55336598
2-butyl-N-(3-cyano-4,5-dimethylthiophen-2-yl)-1,3-dioxoisoindole-5-carboxamide
CID 26177315
N-(3-cyano-4,5-dimethylthiophen-2-yl)-1H-indazole-6-carboxamide
CID 62905439
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(4-ethoxyphenyl)acetamide
CID 8720032

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-3,4-diethoxybenzamide?
The IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-3,4-diethoxybenzamide (CID 43981375) is N-(3-cyano-4,5-dimethylthiophen-2-yl)-3,4-diethoxybenzamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylthiophen-2-yl)-3,4-diethoxybenzamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylthiophen-2-yl)-3,4-diethoxybenzamide is CCOc1ccc(C(=O)Nc2sc(C)c(C)c2C#N)cc1OCC.
What is the InChIKey of N-(3-cyano-4,5-dimethylthiophen-2-yl)-3,4-diethoxybenzamide?
The InChIKey is WAJLOODLBJKVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-5-22-15-8-7-13(9-16(15)23-6-2)17(21)20-18-14(10-19)11(3)12(4)24-18/h7-9H,5-6H2,1-4H3,(H,20,21).
What are the key properties of N-(3-cyano-4,5-dimethylthiophen-2-yl)-3,4-diethoxybenzamide?
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3,4-diethoxybenzamide has a molecular weight of 344.44 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylthiophen-2-yl)-3,4-diethoxybenzamide is sourced from PubChem (CID 43981375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).