N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide

C22H25N3O2S2 — CID 17401502

IUPACN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide
SMILESO=C(NCC(c1ccco1)N1CCCC1)c1c(-n2cccc2)sc2c1CCSC2
InChIInChI=1S/C22H25N3O2S2/c26-21(23-14-17(18-6-5-12-27-18)24-8-1-2-9-24)20-16-7-13-28-15-19(16)29-22(20)25-10-3-4-11-25/h3-6,10-12,17H,1-2,7-9,13-15H2,(H,23,26)
InChIKeyYWSJNGFHSXJQRG-UHFFFAOYSA-N
MW427.60 g/mol
LogP4.49
Rot. Bonds6

About N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide

N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide (PubChem CID 17401502) has the molecular formula C22H25N3O2S2 and a molecular weight of 427.60 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide
PubChem CID17401502
Molecular FormulaC22H25N3O2S2
Molecular Weight427.60 g/mol
Exact Mass427.14
IUPAC NameN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide
SMILESO=C(NCC(c1ccco1)N1CCCC1)c1c(-n2cccc2)sc2c1CCSC2
InChIInChI=1S/C22H25N3O2S2/c26-21(23-14-17(18-6-5-12-27-18)24-8-1-2-9-24)20-16-7-13-28-15-19(16)29-22(20)25-10-3-4-11-25/h3-6,10-12,17H,1-2,7-9,13-15H2,(H,23,26)
InChIKeyYWSJNGFHSXJQRG-UHFFFAOYSA-N
XLogP4.49
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.60
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide with MolForge

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Related Compounds

N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 25161590
4-bromo-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 7944545
4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4877480
5-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
CID 4808914
N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-4-(trifluoromethyl)benzamide
CID 124878574
2-chloro-6-fluoro-N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]benzamide
CID 124759832
3,4-dichloro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 7972696
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-pyrazol-1-ylbenzamide
CID 9171895
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
CID 34864710
1-benzyl-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,5-dimethylpyrazole-4-carboxamide
CID 41117308
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylbenzamide
CID 43842816

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide (CID 17401502) is N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide is O=C(NCC(c1ccco1)N1CCCC1)c1c(-n2cccc2)sc2c1CCSC2.
What is the InChIKey of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide?
The InChIKey is YWSJNGFHSXJQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S2/c26-21(23-14-17(18-6-5-12-27-18)24-8-1-2-9-24)20-16-7-13-28-15-19(16)29-22(20)25-10-3-4-11-25/h3-6,10-12,17H,1-2,7-9,13-15H2,(H,23,26).
What are the key properties of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide?
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide has a molecular weight of 427.60 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide is sourced from PubChem (CID 17401502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).