N-[[(3R)-1-(furan-3-ylmethyl)pyrrolidin-3-yl]methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide

C17H19N3O2S — CID 95197349

IUPACN-[[(3R)-1-(furan-3-ylmethyl)pyrrolidin-3-yl]methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESO=C(NC[C@H]1CCN(Cc2ccoc2)C1)c1cc2sccc2[nH]1
InChIInChI=1S/C17H19N3O2S/c21-17(15-7-16-14(19-15)3-6-23-16)18-8-12-1-4-20(9-12)10-13-2-5-22-11-13/h2-3,5-7,11-12,19H,1,4,8-10H2,(H,18,21)/t12-/m1/s1
InChIKeyGBRGACMWWVRVJL-GFCCVEGCSA-N
MW329.43 g/mol
LogP3.07
Rot. Bonds5

About N-[[(3R)-1-(furan-3-ylmethyl)pyrrolidin-3-yl]methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide

N-[[(3R)-1-(furan-3-ylmethyl)pyrrolidin-3-yl]methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 95197349) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-[[(3R)-1-(furan-3-ylmethyl)pyrrolidin-3-yl]methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-(furan-3-ylmethyl)pyrrolidin-3-yl]methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID95197349
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-[[(3R)-1-(furan-3-ylmethyl)pyrrolidin-3-yl]methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESO=C(NC[C@H]1CCN(Cc2ccoc2)C1)c1cc2sccc2[nH]1
InChIInChI=1S/C17H19N3O2S/c21-17(15-7-16-14(19-15)3-6-23-16)18-8-12-1-4-20(9-12)10-13-2-5-22-11-13/h2-3,5-7,11-12,19H,1,4,8-10H2,(H,18,21)/t12-/m1/s1
InChIKeyGBRGACMWWVRVJL-GFCCVEGCSA-N
XLogP3.07
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 95208505
N-[[(3R)-1-(furan-3-ylmethyl)piperidin-3-yl]methyl]-4-phenylbenzamide
CID 42195132
N-(5-oxaspiro[3.5]nonan-8-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 128594426
N-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
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CID 25450902
N-[[1-(1H-indol-2-ylmethyl)pyrrolidin-3-yl]methyl]thiophene-3-carboxamide
CID 56708358
2-amino-N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]acetamide
CID 96553008
N-(furan-3-ylmethyl)-1H-indole-2-carboxamide
CID 47034241
2-amino-N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(furan-3-ylmethyl)pyrrolidin-3-yl]methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-[[(3R)-1-(furan-3-ylmethyl)pyrrolidin-3-yl]methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide (CID 95197349) is N-[[(3R)-1-(furan-3-ylmethyl)pyrrolidin-3-yl]methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-[[(3R)-1-(furan-3-ylmethyl)pyrrolidin-3-yl]methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-[[(3R)-1-(furan-3-ylmethyl)pyrrolidin-3-yl]methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide is O=C(NC[C@H]1CCN(Cc2ccoc2)C1)c1cc2sccc2[nH]1.
What is the InChIKey of N-[[(3R)-1-(furan-3-ylmethyl)pyrrolidin-3-yl]methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is GBRGACMWWVRVJL-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19N3O2S/c21-17(15-7-16-14(19-15)3-6-23-16)18-8-12-1-4-20(9-12)10-13-2-5-22-11-13/h2-3,5-7,11-12,19H,1,4,8-10H2,(H,18,21)/t12-/m1/s1.
What are the key properties of N-[[(3R)-1-(furan-3-ylmethyl)pyrrolidin-3-yl]methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide?
N-[[(3R)-1-(furan-3-ylmethyl)pyrrolidin-3-yl]methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(furan-3-ylmethyl)pyrrolidin-3-yl]methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 95197349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).