methyl 2-[[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

C19H24N2O4S — CID 96999431

IUPACmethyl 2-[[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)sc2c1CCC2
InChIInChI=1S/C19H24N2O4S/c1-25-19(24)16-13-7-4-8-14(13)26-18(16)20-17(23)11-9-15(22)21(10-11)12-5-2-3-6-12/h11-12H,2-10H2,1H3,(H,20,23)/t11-/m0/s1
InChIKeyOSEYJTUMYOAPDS-NSHDSACASA-N
MW376.48 g/mol
LogP2.75
Rot. Bonds4

About methyl 2-[[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

methyl 2-[[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (PubChem CID 96999431) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is methyl 2-[[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
PubChem CID96999431
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Namemethyl 2-[[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)sc2c1CCC2
InChIInChI=1S/C19H24N2O4S/c1-25-19(24)16-13-7-4-8-14(13)26-18(16)20-17(23)11-9-15(22)21(10-11)12-5-2-3-6-12/h11-12H,2-10H2,1H3,(H,20,23)/t11-/m0/s1
InChIKeyOSEYJTUMYOAPDS-NSHDSACASA-N
XLogP2.75
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_C(7)', 'substructure': 'N/A'}

Analyze methyl 2-[[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 4-[[(3S)-1-cyclohexyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 40636618
methyl 1-(3-methoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-oxopyrrolidine-3-carboxylate
CID 168693353
methyl 2-[(2-methyl-5-oxopyrazolidine-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 2990781
methyl 2-[[(3S)-1-cyclopropyl-5-oxopyrrolidine-3-carbonyl]amino]-3-fluoro-6-methylbenzoate
CID 95312125
trans-(1S,2S)-2-[(3-methoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylate
CID 2165470
trans-(1S,2S)-2-[(3-methoxycarbonyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylate
CID 6592994
methyl 2-[[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 99698027
methyl 2-[(1-cyclohexyl-5-oxopyrrolidine-3-carbonyl)amino]benzoate
CID 2856288
(1S,6S)-6-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 996436
(1R,6S)-6-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 996434
(1R,6R)-6-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 996435
methyl 2-[[(1S,2S,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 737655

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The IUPAC name of methyl 2-[[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (CID 96999431) is methyl 2-[[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The canonical SMILES for methyl 2-[[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is COC(=O)c1c(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)sc2c1CCC2.
What is the InChIKey of methyl 2-[[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The InChIKey is OSEYJTUMYOAPDS-NSHDSACASA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-25-19(24)16-13-7-4-8-14(13)26-18(16)20-17(23)11-9-15(22)21(10-11)12-5-2-3-6-12/h11-12H,2-10H2,1H3,(H,20,23)/t11-/m0/s1.
What are the key properties of methyl 2-[[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
methyl 2-[[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate has a molecular weight of 376.48 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is sourced from PubChem (CID 96999431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).