N-ethyl-4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-(thiophen-2-ylmethyl)benzamide

C18H19N3O2S — CID 47068989

IUPACN-ethyl-4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-(thiophen-2-ylmethyl)benzamide
SMILESCCN(Cc1cccs1)C(=O)c1ccc(-n2c(C)c[nH]c2=O)cc1
InChIInChI=1S/C18H19N3O2S/c1-3-20(12-16-5-4-10-24-16)17(22)14-6-8-15(9-7-14)21-13(2)11-19-18(21)23/h4-11H,3,12H2,1-2H3,(H,19,23)
InChIKeyICBAQDIFNZUJFS-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.20
Rot. Bonds5

About N-ethyl-4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-(thiophen-2-ylmethyl)benzamide

N-ethyl-4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 47068989) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-ethyl-4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-ethyl-4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-(thiophen-2-ylmethyl)benzamide
PubChem CID47068989
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-ethyl-4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-(thiophen-2-ylmethyl)benzamide
SMILESCCN(Cc1cccs1)C(=O)c1ccc(-n2c(C)c[nH]c2=O)cc1
InChIInChI=1S/C18H19N3O2S/c1-3-20(12-16-5-4-10-24-16)17(22)14-6-8-15(9-7-14)21-13(2)11-19-18(21)23/h4-11H,3,12H2,1-2H3,(H,19,23)
InChIKeyICBAQDIFNZUJFS-UHFFFAOYSA-N
XLogP3.20
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 134014370
N-ethyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 60655445
4-chloro-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 78801917
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 18163426
N-ethyl-2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydroindole-6-carboxamide
CID 102712059
N-ethyl-N-(thiophen-2-ylmethyl)-1H-indole-3-carboxamide
CID 60659716
4-(difluoromethylsulfanyl)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 47019958
3,4-diethoxy-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 78801031
N-ethyl-4-hydrazinyl-3-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 63211798
3-amino-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 60940215
4-(2,5-dimethylpyrrol-1-yl)-N,N-diethylbenzamide
CID 78777192
4-[ethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730228

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of N-ethyl-4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-(thiophen-2-ylmethyl)benzamide (CID 47068989) is N-ethyl-4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for N-ethyl-4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for N-ethyl-4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-(thiophen-2-ylmethyl)benzamide is CCN(Cc1cccs1)C(=O)c1ccc(-n2c(C)c[nH]c2=O)cc1.
What is the InChIKey of N-ethyl-4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is ICBAQDIFNZUJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-3-20(12-16-5-4-10-24-16)17(22)14-6-8-15(9-7-14)21-13(2)11-19-18(21)23/h4-11H,3,12H2,1-2H3,(H,19,23).
What are the key properties of N-ethyl-4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-(thiophen-2-ylmethyl)benzamide?
N-ethyl-4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 341.44 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 47068989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).