ethyl 5,5,7,7-tetramethyl-2-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate

C24H30N4O3S2 — CID 24982696

IUPACethyl 5,5,7,7-tetramethyl-2-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CSc2nc3ccc(C)cc3[nH]2)sc2c1CC(C)(C)NC2(C)C
InChIInChI=1S/C24H30N4O3S2/c1-7-31-21(30)18-14-11-23(3,4)28-24(5,6)19(14)33-20(18)27-17(29)12-32-22-25-15-9-8-13(2)10-16(15)26-22/h8-10,28H,7,11-12H2,1-6H3,(H,25,26)(H,27,29)
InChIKeyYHFRILFYNGZTQV-UHFFFAOYSA-N
MW486.66 g/mol
LogP5.00
Rot. Bonds6

About ethyl 5,5,7,7-tetramethyl-2-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate

ethyl 5,5,7,7-tetramethyl-2-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate (PubChem CID 24982696) has the molecular formula C24H30N4O3S2 and a molecular weight of 486.66 g/mol. Its IUPAC name is ethyl 5,5,7,7-tetramethyl-2-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5,5,7,7-tetramethyl-2-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
PubChem CID24982696
Molecular FormulaC24H30N4O3S2
Molecular Weight486.66 g/mol
Exact Mass486.18
IUPAC Nameethyl 5,5,7,7-tetramethyl-2-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CSc2nc3ccc(C)cc3[nH]2)sc2c1CC(C)(C)NC2(C)C
InChIInChI=1S/C24H30N4O3S2/c1-7-31-21(30)18-14-11-23(3,4)28-24(5,6)19(14)33-20(18)27-17(29)12-32-22-25-15-9-8-13(2)10-16(15)26-22/h8-10,28H,7,11-12H2,1-6H3,(H,25,26)(H,27,29)
InChIKeyYHFRILFYNGZTQV-UHFFFAOYSA-N
XLogP5.00
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.66
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze ethyl 5,5,7,7-tetramethyl-2-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-({[(5-methyl-1H-benzimidazol-2-yl)thio]acetyl}amino)benzoate
CID 1297775
methyl 5-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 2085755
ethyl 5-amino-4-cyano-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]thiophene-2-carboxylate
CID 2545743
ethyl 2-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 2999022
ethyl 4-[[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]carbamoylamino]benzoate
CID 44525437
ethyl 4-[[4-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]carbamoylamino]benzoate
CID 44525438
ethyl 2-[5-[(1-benzylpiperidin-4-yl)carbamoyl]thiophen-2-yl]-3H-benzimidazole-5-carboxylate
CID 44534881
AG205
CID 4373083
thiophen-2-ylmethyl 2-(methoxycarbonylamino)-3H-benzimidazole-5-carboxylate
CID 15723780
ethyl 2-[[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
CID 24979189
Ethyl 2-(2-((1H-benzo[d]imidazol-2-yl)thio)acetamido)-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
CID 24981559
ethyl 2-[2-(1-ethylbenzimidazol-2-yl)sulfanylethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 50905146

Frequently Asked Questions

What is the IUPAC name of ethyl 5,5,7,7-tetramethyl-2-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 5,5,7,7-tetramethyl-2-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate (CID 24982696) is ethyl 5,5,7,7-tetramethyl-2-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5,5,7,7-tetramethyl-2-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5,5,7,7-tetramethyl-2-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate is CCOC(=O)c1c(NC(=O)CSc2nc3ccc(C)cc3[nH]2)sc2c1CC(C)(C)NC2(C)C.
What is the InChIKey of ethyl 5,5,7,7-tetramethyl-2-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate?
The InChIKey is YHFRILFYNGZTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3S2/c1-7-31-21(30)18-14-11-23(3,4)28-24(5,6)19(14)33-20(18)27-17(29)12-32-22-25-15-9-8-13(2)10-16(15)26-22/h8-10,28H,7,11-12H2,1-6H3,(H,25,26)(H,27,29).
What are the key properties of ethyl 5,5,7,7-tetramethyl-2-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate?
ethyl 5,5,7,7-tetramethyl-2-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate has a molecular weight of 486.66 g/mol, XLogP of 5.00, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,5,7,7-tetramethyl-2-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 24982696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).