ethyl 3-methyl-5-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]thiophene-2-carboxylate

C18H19N3O4S — CID 51318878

IUPACethyl 3-methyl-5-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)Cn2c(=O)n(C)c3ccccc32)cc1C
InChIInChI=1S/C18H19N3O4S/c1-4-25-17(23)16-11(2)9-15(26-16)19-14(22)10-21-13-8-6-5-7-12(13)20(3)18(21)24/h5-9H,4,10H2,1-3H3,(H,19,22)
InChIKeyUHSBVXTVUOQIGI-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.53
Rot. Bonds5

About ethyl 3-methyl-5-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]thiophene-2-carboxylate

ethyl 3-methyl-5-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]thiophene-2-carboxylate (PubChem CID 51318878) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is ethyl 3-methyl-5-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-5-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]thiophene-2-carboxylate
PubChem CID51318878
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Nameethyl 3-methyl-5-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)Cn2c(=O)n(C)c3ccccc32)cc1C
InChIInChI=1S/C18H19N3O4S/c1-4-25-17(23)16-11(2)9-15(26-16)19-14(22)10-21-13-8-6-5-7-12(13)20(3)18(21)24/h5-9H,4,10H2,1-3H3,(H,19,22)
InChIKeyUHSBVXTVUOQIGI-UHFFFAOYSA-N
XLogP2.53
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-3-methylthiophene-2-carboxylate
CID 41334880
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CID 7254718
ethyl 5-[[2-(3-cyano-4-oxoquinolin-1-yl)acetyl]amino]-3-methylthiophene-2-carboxylate
CID 51135504
ethyl 5-[[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)acetyl]amino]-3-methylthiophene-2-carboxylate
CID 55830976
ethyl 5-[[2-[2-[(5-ethoxycarbonyl-4-methylthiophen-2-yl)amino]-2-oxoethoxy]acetyl]amino]-3-methylthiophene-2-carboxylate
CID 16832326
ethyl 3-methyl-5-[[2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)acetyl]amino]thiophene-2-carboxylate
CID 56528750
ethyl 5-[(2-ethoxyacetyl)amino]-3-methylthiophene-2-carboxylate
CID 43422858
ethyl 5-[[2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]amino]-3-methylthiophene-2-carboxylate
CID 30795038
ethyl 3-methyl-5-[[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetyl]amino]thiophene-2-carboxylate
CID 18127170
ethyl 5-[[2-(2-ethoxy-2-oxoethyl)sulfanylacetyl]amino]-3-methylthiophene-2-carboxylate
CID 24569681
ethyl 3-methyl-5-[[2-[(2S)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetyl]amino]thiophene-2-carboxylate
CID 41253944
ethyl 5-[[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetyl]amino]-3-methylthiophene-2-carboxylate
CID 30733791

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-5-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]thiophene-2-carboxylate?
The IUPAC name of ethyl 3-methyl-5-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]thiophene-2-carboxylate (CID 51318878) is ethyl 3-methyl-5-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-methyl-5-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]thiophene-2-carboxylate?
The canonical SMILES for ethyl 3-methyl-5-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]thiophene-2-carboxylate is CCOC(=O)c1sc(NC(=O)Cn2c(=O)n(C)c3ccccc32)cc1C.
What is the InChIKey of ethyl 3-methyl-5-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]thiophene-2-carboxylate?
The InChIKey is UHSBVXTVUOQIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-4-25-17(23)16-11(2)9-15(26-16)19-14(22)10-21-13-8-6-5-7-12(13)20(3)18(21)24/h5-9H,4,10H2,1-3H3,(H,19,22).
What are the key properties of ethyl 3-methyl-5-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]thiophene-2-carboxylate?
ethyl 3-methyl-5-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]thiophene-2-carboxylate has a molecular weight of 373.43 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-5-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 51318878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).