N-[(1S)-2-[(3aS,6S,6aS)-6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-5-pyridin-4-ylthiophene-2-carboxamide

C23H24ClN3O4S — CID 118468773

IUPACN-[(1S)-2-[(3aS,6S,6aS)-6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-5-pyridin-4-ylthiophene-2-carboxamide
SMILESO=C(N[C@H](C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@H]21)C1CCCC1)c1ccc(-c2ccncc2)s1
InChIInChI=1S/C23H24ClN3O4S/c24-15-11-27(20-16(28)12-31-21(15)20)23(30)19(14-3-1-2-4-14)26-22(29)18-6-5-17(32-18)13-7-9-25-10-8-13/h5-10,14-15,19-21H,1-4,11-12H2,(H,26,29)/t15-,19-,20+,21+/m0/s1
InChIKeyLNPHKLHXDNQJOM-JWOSDPRPSA-N
MW473.98 g/mol
LogP2.88
Rot. Bonds5

About N-[(1S)-2-[(3aS,6S,6aS)-6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-5-pyridin-4-ylthiophene-2-carboxamide

N-[(1S)-2-[(3aS,6S,6aS)-6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-5-pyridin-4-ylthiophene-2-carboxamide (PubChem CID 118468773) has the molecular formula C23H24ClN3O4S and a molecular weight of 473.98 g/mol. Its IUPAC name is N-[(1S)-2-[(3aS,6S,6aS)-6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-5-pyridin-4-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-[(3aS,6S,6aS)-6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-5-pyridin-4-ylthiophene-2-carboxamide
PubChem CID118468773
Molecular FormulaC23H24ClN3O4S
Molecular Weight473.98 g/mol
Exact Mass473.12
IUPAC NameN-[(1S)-2-[(3aS,6S,6aS)-6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-5-pyridin-4-ylthiophene-2-carboxamide
SMILESO=C(N[C@H](C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@H]21)C1CCCC1)c1ccc(-c2ccncc2)s1
InChIInChI=1S/C23H24ClN3O4S/c24-15-11-27(20-16(28)12-31-21(15)20)23(30)19(14-3-1-2-4-14)26-22(29)18-6-5-17(32-18)13-7-9-25-10-8-13/h5-10,14-15,19-21H,1-4,11-12H2,(H,26,29)/t15-,19-,20+,21+/m0/s1
InChIKeyLNPHKLHXDNQJOM-JWOSDPRPSA-N
XLogP2.88
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.98
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-[(1S)-2-[(3aS,6S,6aS)-6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-5-pyridin-4-ylthiophene-2-carboxamide with MolForge

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Related Compounds

N-[(1S)-2-[(3aS,6S,6aS)-6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-5-(2-methyl-4-pyridinyl)thiophene-2-carboxamide
CID 118468671
N-[2-(6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)-1-cyclopentyl-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)thiophene-2-carboxamide
CID 123345776
N-[2-(6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)-1-cyclohexyl-2-oxoethyl]-5-pyrazin-2-ylthiophene-2-carboxamide
CID 123326902
N-[2-[(3aS,6S,6aS)-6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-5-(6-cyclopropyl-3-pyridinyl)thiophene-2-carboxamide
CID 130316731
N-[(1S)-2-[(3aS,6S,6aS)-6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-5-(1-oxidopyridin-1-ium-3-yl)thiophene-2-carboxamide
CID 118468611
N-[2-[(3aS,6S,6aS)-6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-5-(6-ethylpyridazin-4-yl)thiophene-2-carboxamide
CID 130316777
N-[2-(6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)-1-cyclohexyl-2-oxoethyl]-5-(5-cyclopropylpyridazin-3-yl)thiophene-2-carboxamide
CID 123550510
N-[2-[(3aS,6S,6aS)-6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-5-(2,4-dimethylpyrimidin-5-yl)thiophene-2-carboxamide
CID 130316772
N-[2-[(3aS,6S,6aS)-6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-5-(2,5-dimethyl-4-pyridinyl)thiophene-2-carboxamide
CID 130316748
N-[2-[(3aS,6S,6aS)-6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-5-(3-fluoro-4-pyridinyl)-1,3-thiazole-2-carboxamide
CID 130316774
N-[(1S)-2-[(3aS,6S,6aS)-6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-5-(2-cyclopropyl-4-pyridinyl)-1,3-thiazole-2-carboxamide
CID 118471708
N-[(1S)-2-[(3aS,6S,6aS)-6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-5-(2-cyclopropyl-4-pyridinyl)-1,3-thiazole-2-carboxamide
CID 118468680

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-[(3aS,6S,6aS)-6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-5-pyridin-4-ylthiophene-2-carboxamide?
The IUPAC name of N-[(1S)-2-[(3aS,6S,6aS)-6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-5-pyridin-4-ylthiophene-2-carboxamide (CID 118468773) is N-[(1S)-2-[(3aS,6S,6aS)-6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-5-pyridin-4-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[(1S)-2-[(3aS,6S,6aS)-6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-5-pyridin-4-ylthiophene-2-carboxamide?
The canonical SMILES for N-[(1S)-2-[(3aS,6S,6aS)-6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-5-pyridin-4-ylthiophene-2-carboxamide is O=C(N[C@H](C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@H]21)C1CCCC1)c1ccc(-c2ccncc2)s1.
What is the InChIKey of N-[(1S)-2-[(3aS,6S,6aS)-6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-5-pyridin-4-ylthiophene-2-carboxamide?
The InChIKey is LNPHKLHXDNQJOM-JWOSDPRPSA-N. The full InChI is InChI=1S/C23H24ClN3O4S/c24-15-11-27(20-16(28)12-31-21(15)20)23(30)19(14-3-1-2-4-14)26-22(29)18-6-5-17(32-18)13-7-9-25-10-8-13/h5-10,14-15,19-21H,1-4,11-12H2,(H,26,29)/t15-,19-,20+,21+/m0/s1.
What are the key properties of N-[(1S)-2-[(3aS,6S,6aS)-6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-5-pyridin-4-ylthiophene-2-carboxamide?
N-[(1S)-2-[(3aS,6S,6aS)-6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-5-pyridin-4-ylthiophene-2-carboxamide has a molecular weight of 473.98 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-[(3aS,6S,6aS)-6-chloro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-5-pyridin-4-ylthiophene-2-carboxamide is sourced from PubChem (CID 118468773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).