cyclopentyl 3-methyl-4-oxo-6-thiophen-2-yl-1,5,6,7-tetrahydroindole-2-carboxylate

C19H21NO3S — CID 2974585

IUPACcyclopentyl 3-methyl-4-oxo-6-thiophen-2-yl-1,5,6,7-tetrahydroindole-2-carboxylate
SMILESCc1c(C(=O)OC2CCCC2)[nH]c2c1C(=O)CC(c1cccs1)C2
InChIInChI=1S/C19H21NO3S/c1-11-17-14(9-12(10-15(17)21)16-7-4-8-24-16)20-18(11)19(22)23-13-5-2-3-6-13/h4,7-8,12-13,20H,2-3,5-6,9-10H2,1H3
InChIKeyIRSGSBXHXAXJBZ-UHFFFAOYSA-N
MW343.45 g/mol
LogP4.40
Rot. Bonds3

About cyclopentyl 3-methyl-4-oxo-6-thiophen-2-yl-1,5,6,7-tetrahydroindole-2-carboxylate

cyclopentyl 3-methyl-4-oxo-6-thiophen-2-yl-1,5,6,7-tetrahydroindole-2-carboxylate (PubChem CID 2974585) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is cyclopentyl 3-methyl-4-oxo-6-thiophen-2-yl-1,5,6,7-tetrahydroindole-2-carboxylate.

Molecular Properties

Compound Namecyclopentyl 3-methyl-4-oxo-6-thiophen-2-yl-1,5,6,7-tetrahydroindole-2-carboxylate
PubChem CID2974585
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC Namecyclopentyl 3-methyl-4-oxo-6-thiophen-2-yl-1,5,6,7-tetrahydroindole-2-carboxylate
SMILESCc1c(C(=O)OC2CCCC2)[nH]c2c1C(=O)CC(c1cccs1)C2
InChIInChI=1S/C19H21NO3S/c1-11-17-14(9-12(10-15(17)21)16-7-4-8-24-16)20-18(11)19(22)23-13-5-2-3-6-13/h4,7-8,12-13,20H,2-3,5-6,9-10H2,1H3
InChIKeyIRSGSBXHXAXJBZ-UHFFFAOYSA-N
XLogP4.40
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R,2R)-2-methylcyclopentyl] (6R)-3-methyl-4-oxo-6-thiophen-2-yl-1,5,6,7-tetrahydroindole-2-carboxylate
CID 6553629
cyclopentyl (6R)-3-methyl-4-oxo-6-phenyl-1,5,6,7-tetrahydroindole-2-carboxylate
CID 866803
benzyl (6S)-3-methyl-4-oxo-6-thiophen-2-yl-1,5,6,7-tetrahydroindole-2-carboxylate
CID 2054280
cycloheptyl (6R)-6-(4-fluorophenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate
CID 1267589
oxolan-2-ylmethyl 3-methyl-4-oxo-6-thiophen-2-yl-1,5,6,7-tetrahydroindole-2-carboxylate
CID 2978577
cyclohexyl (6R)-6-(2,5-dimethoxyphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate
CID 1267610
cyclopentyl (4S,7S)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1073429
cyclopentyl (4R,7S)-4-(3-fluorophenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1043946
cyclopentyl (4R,7S)-4-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1347466
[(1S,2R)-2-methylcyclopentyl] (6S)-6-(2-chlorophenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate
CID 51408113
methyl 3-methyl-6-(4-methylphenyl)-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate
CID 3241795
[(1R,2R)-2-methylcyclopentyl] (6S)-6-[4-(dimethylamino)phenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate
CID 51407253

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 3-methyl-4-oxo-6-thiophen-2-yl-1,5,6,7-tetrahydroindole-2-carboxylate?
The IUPAC name of cyclopentyl 3-methyl-4-oxo-6-thiophen-2-yl-1,5,6,7-tetrahydroindole-2-carboxylate (CID 2974585) is cyclopentyl 3-methyl-4-oxo-6-thiophen-2-yl-1,5,6,7-tetrahydroindole-2-carboxylate.
What is the SMILES notation for cyclopentyl 3-methyl-4-oxo-6-thiophen-2-yl-1,5,6,7-tetrahydroindole-2-carboxylate?
The canonical SMILES for cyclopentyl 3-methyl-4-oxo-6-thiophen-2-yl-1,5,6,7-tetrahydroindole-2-carboxylate is Cc1c(C(=O)OC2CCCC2)[nH]c2c1C(=O)CC(c1cccs1)C2.
What is the InChIKey of cyclopentyl 3-methyl-4-oxo-6-thiophen-2-yl-1,5,6,7-tetrahydroindole-2-carboxylate?
The InChIKey is IRSGSBXHXAXJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3S/c1-11-17-14(9-12(10-15(17)21)16-7-4-8-24-16)20-18(11)19(22)23-13-5-2-3-6-13/h4,7-8,12-13,20H,2-3,5-6,9-10H2,1H3.
What are the key properties of cyclopentyl 3-methyl-4-oxo-6-thiophen-2-yl-1,5,6,7-tetrahydroindole-2-carboxylate?
cyclopentyl 3-methyl-4-oxo-6-thiophen-2-yl-1,5,6,7-tetrahydroindole-2-carboxylate has a molecular weight of 343.45 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 3-methyl-4-oxo-6-thiophen-2-yl-1,5,6,7-tetrahydroindole-2-carboxylate is sourced from PubChem (CID 2974585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).