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

C16H16N2O2S — CID 673495

IUPACN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)Nc1sc(C)c(C)c1C#N
InChIInChI=1S/C16H16N2O2S/c1-4-20-14-8-6-5-7-12(14)15(19)18-16-13(9-17)10(2)11(3)21-16/h5-8H,4H2,1-3H3,(H,18,19)
InChIKeyPFOOMSBLIHANBY-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.89
Rot. Bonds4

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

N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-ethoxybenzamide (PubChem CID 673495) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-ethoxybenzamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-ethoxybenzamide
PubChem CID673495
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)Nc1sc(C)c(C)c1C#N
InChIInChI=1S/C16H16N2O2S/c1-4-20-14-8-6-5-7-12(14)15(19)18-16-13(9-17)10(2)11(3)21-16/h5-8H,4H2,1-3H3,(H,18,19)
InChIKeyPFOOMSBLIHANBY-UHFFFAOYSA-N
XLogP3.89
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2,6-dimethoxybenzamide
CID 686671
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-methoxybenzamide
CID 958575
4-Ethyl-2-{[3-(4-methoxyphenyl)propanoyl]amino}-5-methyl-3-thiophenecarboxamide
CID 903679
ethyl 2-(2-oxo-2H-chromene-3-carboxamido)-4-phenylthiophene-3-carboxylate
CID 1051849
Methyl 4-cyano-5-[(2,6-dimethoxybenzoyl)amino]-3-methyl-2-thiophenecarboxylate
CID 1088392
N-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]-2-methoxybenzamide
CID 1130986
4-cyano-5-[(2,6-dimethoxybenzoyl)amino]-N,N-diethyl-3-methyl-2-thiophenecarboxamide
CID 1221824
N-[3-cyano-4-(4-methoxyphenyl)-5-methyl-2-thienyl]butanamide
CID 1245437
methyl 2-{[4-(2-methylphenoxy)butanoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 1564297
ethyl 4-(4-methylphenyl)-2-{[(2-oxo-2H-chromen-3-yl)carbonyl]amino}thiophene-3-carboxylate
CID 1676037
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(3-methylbutoxy)benzamide
CID 1898233
(2E)-N-(3-cyano(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl))-3-(5-methyl(2-furyl))prop-2-enamide
CID 2104934

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-ethoxybenzamide?
The IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-ethoxybenzamide (CID 673495) is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-ethoxybenzamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-ethoxybenzamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-ethoxybenzamide is CCOc1ccccc1C(=O)Nc1sc(C)c(C)c1C#N.
What is the InChIKey of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-ethoxybenzamide?
The InChIKey is PFOOMSBLIHANBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-4-20-14-8-6-5-7-12(14)15(19)18-16-13(9-17)10(2)11(3)21-16/h5-8H,4H2,1-3H3,(H,18,19).
What are the key properties of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-ethoxybenzamide?
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-ethoxybenzamide has a molecular weight of 300.38 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-ethoxybenzamide is sourced from PubChem (CID 673495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).