N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropanoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]thiophene-2-carboxamide

C19H24N4O3S — CID 146073104

IUPACN-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropanoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]thiophene-2-carboxamide
SMILESCc1noc([C@]23C[C@H](NC(=O)c4cccs4)C[C@H]2CN(C(=O)C(C)C)C3)n1
InChIInChI=1S/C19H24N4O3S/c1-11(2)17(25)23-9-13-7-14(21-16(24)15-5-4-6-27-15)8-19(13,10-23)18-20-12(3)22-26-18/h4-6,11,13-14H,7-10H2,1-3H3,(H,21,24)/t13-,14+,19-/m0/s1
InChIKeyWUMNRKLGUFQWQR-KSMMKXTCSA-N
MW388.49 g/mol
LogP2.38
Rot. Bonds4

About N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropanoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]thiophene-2-carboxamide

N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropanoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]thiophene-2-carboxamide (PubChem CID 146073104) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropanoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropanoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]thiophene-2-carboxamide
PubChem CID146073104
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC NameN-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropanoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]thiophene-2-carboxamide
SMILESCc1noc([C@]23C[C@H](NC(=O)c4cccs4)C[C@H]2CN(C(=O)C(C)C)C3)n1
InChIInChI=1S/C19H24N4O3S/c1-11(2)17(25)23-9-13-7-14(21-16(24)15-5-4-6-27-15)8-19(13,10-23)18-20-12(3)22-26-18/h4-6,11,13-14H,7-10H2,1-3H3,(H,21,24)/t13-,14+,19-/m0/s1
InChIKeyWUMNRKLGUFQWQR-KSMMKXTCSA-N
XLogP2.38
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropanoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]thiophene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropanoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]thiophene-2-carboxamide?
The IUPAC name of N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropanoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]thiophene-2-carboxamide (CID 146073104) is N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropanoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropanoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropanoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]thiophene-2-carboxamide is Cc1noc([C@]23C[C@H](NC(=O)c4cccs4)C[C@H]2CN(C(=O)C(C)C)C3)n1.
What is the InChIKey of N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropanoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]thiophene-2-carboxamide?
The InChIKey is WUMNRKLGUFQWQR-KSMMKXTCSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-11(2)17(25)23-9-13-7-14(21-16(24)15-5-4-6-27-15)8-19(13,10-23)18-20-12(3)22-26-18/h4-6,11,13-14H,7-10H2,1-3H3,(H,21,24)/t13-,14+,19-/m0/s1.
What are the key properties of N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropanoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]thiophene-2-carboxamide?
N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropanoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]thiophene-2-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropanoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]thiophene-2-carboxamide is sourced from PubChem (CID 146073104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).