N-[(2S)-1-[(3aR)-3-hydroxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-4-methyl-1-oxopentan-2-yl]thiophene-3-carboxamide

C18H26N2O4S — CID 142154185

IUPACN-[(2S)-1-[(3aR)-3-hydroxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-4-methyl-1-oxopentan-2-yl]thiophene-3-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1ccsc1)C(=O)N1CCCC2OCC(O)[C@H]21
InChIInChI=1S/C18H26N2O4S/c1-11(2)8-13(19-17(22)12-5-7-25-10-12)18(23)20-6-3-4-15-16(20)14(21)9-24-15/h5,7,10-11,13-16,21H,3-4,6,8-9H2,1-2H3,(H,19,22)/t13-,14?,15?,16+/m0/s1
InChIKeyOMTNQEPPIOKINS-SLTXQBBLSA-N
MW366.48 g/mol
LogP1.64
Rot. Bonds5

About N-[(2S)-1-[(3aR)-3-hydroxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-4-methyl-1-oxopentan-2-yl]thiophene-3-carboxamide

N-[(2S)-1-[(3aR)-3-hydroxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-4-methyl-1-oxopentan-2-yl]thiophene-3-carboxamide (PubChem CID 142154185) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is N-[(2S)-1-[(3aR)-3-hydroxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-4-methyl-1-oxopentan-2-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[(3aR)-3-hydroxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-4-methyl-1-oxopentan-2-yl]thiophene-3-carboxamide
PubChem CID142154185
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC NameN-[(2S)-1-[(3aR)-3-hydroxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-4-methyl-1-oxopentan-2-yl]thiophene-3-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1ccsc1)C(=O)N1CCCC2OCC(O)[C@H]21
InChIInChI=1S/C18H26N2O4S/c1-11(2)8-13(19-17(22)12-5-7-25-10-12)18(23)20-6-3-4-15-16(20)14(21)9-24-15/h5,7,10-11,13-16,21H,3-4,6,8-9H2,1-2H3,(H,19,22)/t13-,14?,15?,16+/m0/s1
InChIKeyOMTNQEPPIOKINS-SLTXQBBLSA-N
XLogP1.64
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-1-[(3aR)-3-hydroxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-4-methyl-1-oxopentan-2-yl]thiophene-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(3aR)-3-hydroxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-4-methyl-1-oxopentan-2-yl]thiophene-3-carboxamide?
The IUPAC name of N-[(2S)-1-[(3aR)-3-hydroxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-4-methyl-1-oxopentan-2-yl]thiophene-3-carboxamide (CID 142154185) is N-[(2S)-1-[(3aR)-3-hydroxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-4-methyl-1-oxopentan-2-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-[(3aR)-3-hydroxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-4-methyl-1-oxopentan-2-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[(2S)-1-[(3aR)-3-hydroxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-4-methyl-1-oxopentan-2-yl]thiophene-3-carboxamide is CC(C)C[C@H](NC(=O)c1ccsc1)C(=O)N1CCCC2OCC(O)[C@H]21.
What is the InChIKey of N-[(2S)-1-[(3aR)-3-hydroxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-4-methyl-1-oxopentan-2-yl]thiophene-3-carboxamide?
The InChIKey is OMTNQEPPIOKINS-SLTXQBBLSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-11(2)8-13(19-17(22)12-5-7-25-10-12)18(23)20-6-3-4-15-16(20)14(21)9-24-15/h5,7,10-11,13-16,21H,3-4,6,8-9H2,1-2H3,(H,19,22)/t13-,14?,15?,16+/m0/s1.
What are the key properties of N-[(2S)-1-[(3aR)-3-hydroxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-4-methyl-1-oxopentan-2-yl]thiophene-3-carboxamide?
N-[(2S)-1-[(3aR)-3-hydroxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-4-methyl-1-oxopentan-2-yl]thiophene-3-carboxamide has a molecular weight of 366.48 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(3aR)-3-hydroxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-4-methyl-1-oxopentan-2-yl]thiophene-3-carboxamide is sourced from PubChem (CID 142154185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).