(3aS,6aS)-N-cyclopropyl-5-[3-(5-thiophen-2-ylfuran-2-yl)propanoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide

C21H24N2O4S — CID 169411640

IUPAC(3aS,6aS)-N-cyclopropyl-5-[3-(5-thiophen-2-ylfuran-2-yl)propanoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide
SMILESO=C(CCc1ccc(-c2cccs2)o1)N1C[C@H]2COC[C@@]2(C(=O)NC2CC2)C1
InChIInChI=1S/C21H24N2O4S/c24-19(8-6-16-5-7-17(27-16)18-2-1-9-28-18)23-10-14-11-26-13-21(14,12-23)20(25)22-15-3-4-15/h1-2,5,7,9,14-15H,3-4,6,8,10-13H2,(H,22,25)/t14-,21-/m0/s1
InChIKeyXPNBFQSAYUHLOP-QKKBWIMNSA-N
MW400.50 g/mol
LogP2.69
Rot. Bonds6

About (3aS,6aS)-N-cyclopropyl-5-[3-(5-thiophen-2-ylfuran-2-yl)propanoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide

(3aS,6aS)-N-cyclopropyl-5-[3-(5-thiophen-2-ylfuran-2-yl)propanoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide (PubChem CID 169411640) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is (3aS,6aS)-N-cyclopropyl-5-[3-(5-thiophen-2-ylfuran-2-yl)propanoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide.

Molecular Properties

Compound Name(3aS,6aS)-N-cyclopropyl-5-[3-(5-thiophen-2-ylfuran-2-yl)propanoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide
PubChem CID169411640
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC Name(3aS,6aS)-N-cyclopropyl-5-[3-(5-thiophen-2-ylfuran-2-yl)propanoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide
SMILESO=C(CCc1ccc(-c2cccs2)o1)N1C[C@H]2COC[C@@]2(C(=O)NC2CC2)C1
InChIInChI=1S/C21H24N2O4S/c24-19(8-6-16-5-7-17(27-16)18-2-1-9-28-18)23-10-14-11-26-13-21(14,12-23)20(25)22-15-3-4-15/h1-2,5,7,9,14-15H,3-4,6,8,10-13H2,(H,22,25)/t14-,21-/m0/s1
InChIKeyXPNBFQSAYUHLOP-QKKBWIMNSA-N
XLogP2.69
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3aS,6aS)-N-cyclopropyl-5-[3-(5-thiophen-2-ylfuran-2-yl)propanoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide with MolForge

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Related Compounds

(3aS,6aS)-N-cyclopropyl-5-[3-(5-thiophen-2-ylfuran-2-yl)propanoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;formic acid
CID 171338722
1-[6-(hydroxymethyl)-1,4-oxazepan-4-yl]-3-(5-thiophen-2-ylfuran-2-yl)propan-1-one
CID 70718616
1-(2-oxa-9-azaspiro[4.5]decan-9-yl)-3-(5-thiophen-2-ylfuran-2-yl)propan-1-one
CID 72874083
N'-cyclopropyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 122264467
2-[4-[3-(5-thiophen-2-ylfuran-2-yl)propanoyl]morpholin-3-yl]acetamide
CID 56908769
1-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-3-(5-thiophen-2-ylfuran-2-yl)propan-1-one
CID 169415555
4-methoxy-2-methyl-9-[3-(5-thiophen-2-ylfuran-2-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-1-one
CID 171908509
3-[3-(5-thiophen-2-ylfuran-2-yl)propanoyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
CID 154817885
(2S,4R)-N,1-dimethyl-4-[3-(5-thiophen-2-ylfuran-2-yl)propanoylamino]pyrrolidine-2-carboxamide
CID 72938267
1-[(1S,9S)-8-oxa-2,3,4,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-12-yl]-3-(5-thiophen-2-ylfuran-2-yl)propan-1-one
CID 118794992
(3aR,6aR)-5-[4-(4-chlorophenyl)butanoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid
CID 138810387
(3aR,6aR)-5-(3-phenoxypropanoyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid
CID 138806566

Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-N-cyclopropyl-5-[3-(5-thiophen-2-ylfuran-2-yl)propanoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide?
The IUPAC name of (3aS,6aS)-N-cyclopropyl-5-[3-(5-thiophen-2-ylfuran-2-yl)propanoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide (CID 169411640) is (3aS,6aS)-N-cyclopropyl-5-[3-(5-thiophen-2-ylfuran-2-yl)propanoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide.
What is the SMILES notation for (3aS,6aS)-N-cyclopropyl-5-[3-(5-thiophen-2-ylfuran-2-yl)propanoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide?
The canonical SMILES for (3aS,6aS)-N-cyclopropyl-5-[3-(5-thiophen-2-ylfuran-2-yl)propanoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide is O=C(CCc1ccc(-c2cccs2)o1)N1C[C@H]2COC[C@@]2(C(=O)NC2CC2)C1.
What is the InChIKey of (3aS,6aS)-N-cyclopropyl-5-[3-(5-thiophen-2-ylfuran-2-yl)propanoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide?
The InChIKey is XPNBFQSAYUHLOP-QKKBWIMNSA-N. The full InChI is InChI=1S/C21H24N2O4S/c24-19(8-6-16-5-7-17(27-16)18-2-1-9-28-18)23-10-14-11-26-13-21(14,12-23)20(25)22-15-3-4-15/h1-2,5,7,9,14-15H,3-4,6,8,10-13H2,(H,22,25)/t14-,21-/m0/s1.
What are the key properties of (3aS,6aS)-N-cyclopropyl-5-[3-(5-thiophen-2-ylfuran-2-yl)propanoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide?
(3aS,6aS)-N-cyclopropyl-5-[3-(5-thiophen-2-ylfuran-2-yl)propanoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide has a molecular weight of 400.50 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-N-cyclopropyl-5-[3-(5-thiophen-2-ylfuran-2-yl)propanoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide is sourced from PubChem (CID 169411640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).