2-cyclopentyl-N-[7-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-methyl-2-[(2R)-oxolan-2-yl]benzimidazol-5-yl]acetamide

C27H32N4O3S — CID 29029403

IUPAC2-cyclopentyl-N-[7-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-methyl-2-[(2R)-oxolan-2-yl]benzimidazol-5-yl]acetamide
SMILESCn1c([C@H]2CCCO2)nc2cc(NC(=O)CC3CCCC3)cc(C(=O)N3CCc4sccc4C3)c21
InChIInChI=1S/C27H32N4O3S/c1-30-25-20(27(33)31-10-8-23-18(16-31)9-12-35-23)14-19(28-24(32)13-17-5-2-3-6-17)15-21(25)29-26(30)22-7-4-11-34-22/h9,12,14-15,17,22H,2-8,10-11,13,16H2,1H3,(H,28,32)/t22-/m1/s1
InChIKeyWGSXXZGUSZLXTL-JOCHJYFZSA-N
MW492.65 g/mol
LogP5.20
Rot. Bonds5

About 2-cyclopentyl-N-[7-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-methyl-2-[(2R)-oxolan-2-yl]benzimidazol-5-yl]acetamide

2-cyclopentyl-N-[7-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-methyl-2-[(2R)-oxolan-2-yl]benzimidazol-5-yl]acetamide (PubChem CID 29029403) has the molecular formula C27H32N4O3S and a molecular weight of 492.65 g/mol. Its IUPAC name is 2-cyclopentyl-N-[7-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-methyl-2-[(2R)-oxolan-2-yl]benzimidazol-5-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[7-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-methyl-2-[(2R)-oxolan-2-yl]benzimidazol-5-yl]acetamide
PubChem CID29029403
Molecular FormulaC27H32N4O3S
Molecular Weight492.65 g/mol
Exact Mass492.22
IUPAC Name2-cyclopentyl-N-[7-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-methyl-2-[(2R)-oxolan-2-yl]benzimidazol-5-yl]acetamide
SMILESCn1c([C@H]2CCCO2)nc2cc(NC(=O)CC3CCCC3)cc(C(=O)N3CCc4sccc4C3)c21
InChIInChI=1S/C27H32N4O3S/c1-30-25-20(27(33)31-10-8-23-18(16-31)9-12-35-23)14-19(28-24(32)13-17-5-2-3-6-17)15-21(25)29-26(30)22-7-4-11-34-22/h9,12,14-15,17,22H,2-8,10-11,13,16H2,1H3,(H,28,32)/t22-/m1/s1
InChIKeyWGSXXZGUSZLXTL-JOCHJYFZSA-N
XLogP5.20
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.65
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-cyclopentyl-N-[7-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-methyl-2-[(2R)-oxolan-2-yl]benzimidazol-5-yl]acetamide with MolForge

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Related Compounds

6-[(2-cyclopentylacetyl)amino]-3-methyl-2-[(2R)-oxolan-2-yl]-N-(pyridin-4-ylmethyl)benzimidazole-4-carboxamide
CID 42170054
6-[(2-cyclopentylacetyl)amino]-3-methyl-N-(2-methylpropyl)-2-(oxolan-2-yl)benzimidazole-4-carboxamide
CID 45189679
2-cyclohexyl-N-[6-(4-methylpiperazine-1-carbonyl)-1,3-benzothiazol-2-yl]acetamide
CID 108766079
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-pyrrolidin-1-ylethylamino)ethanone
CID 60711035
2-(cyclohexylamino)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 43388465
methyl 2-[1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperidin-2-yl]acetate
CID 78903676
6-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperidin-1-yl]-3-methylpyrimidin-4-one
CID 171994230
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-3-[2-(3-methylcyclohexyl)ethyl]urea
CID 86960109
N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide
CID 55495421
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 60569853
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanone
CID 103851603
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 16622852

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[7-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-methyl-2-[(2R)-oxolan-2-yl]benzimidazol-5-yl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[7-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-methyl-2-[(2R)-oxolan-2-yl]benzimidazol-5-yl]acetamide (CID 29029403) is 2-cyclopentyl-N-[7-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-methyl-2-[(2R)-oxolan-2-yl]benzimidazol-5-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[7-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-methyl-2-[(2R)-oxolan-2-yl]benzimidazol-5-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[7-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-methyl-2-[(2R)-oxolan-2-yl]benzimidazol-5-yl]acetamide is Cn1c([C@H]2CCCO2)nc2cc(NC(=O)CC3CCCC3)cc(C(=O)N3CCc4sccc4C3)c21.
What is the InChIKey of 2-cyclopentyl-N-[7-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-methyl-2-[(2R)-oxolan-2-yl]benzimidazol-5-yl]acetamide?
The InChIKey is WGSXXZGUSZLXTL-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H32N4O3S/c1-30-25-20(27(33)31-10-8-23-18(16-31)9-12-35-23)14-19(28-24(32)13-17-5-2-3-6-17)15-21(25)29-26(30)22-7-4-11-34-22/h9,12,14-15,17,22H,2-8,10-11,13,16H2,1H3,(H,28,32)/t22-/m1/s1.
What are the key properties of 2-cyclopentyl-N-[7-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-methyl-2-[(2R)-oxolan-2-yl]benzimidazol-5-yl]acetamide?
2-cyclopentyl-N-[7-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-methyl-2-[(2R)-oxolan-2-yl]benzimidazol-5-yl]acetamide has a molecular weight of 492.65 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[7-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-methyl-2-[(2R)-oxolan-2-yl]benzimidazol-5-yl]acetamide is sourced from PubChem (CID 29029403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).