5-ethyl-4-(pyrrolidin-1-ylmethyl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]furan-2-carboxamide

C22H31N3O2S — CID 131889341

IUPAC5-ethyl-4-(pyrrolidin-1-ylmethyl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]furan-2-carboxamide
SMILESCCc1oc(C(=O)NC2CCCN(Cc3cccs3)C2)cc1CN1CCCC1
InChIInChI=1S/C22H31N3O2S/c1-2-20-17(14-24-9-3-4-10-24)13-21(27-20)22(26)23-18-7-5-11-25(15-18)16-19-8-6-12-28-19/h6,8,12-13,18H,2-5,7,9-11,14-16H2,1H3,(H,23,26)
InChIKeyZSZZSHXITPRMCB-UHFFFAOYSA-N
MW401.58 g/mol
LogP3.89
Rot. Bonds7

About 5-ethyl-4-(pyrrolidin-1-ylmethyl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]furan-2-carboxamide

5-ethyl-4-(pyrrolidin-1-ylmethyl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]furan-2-carboxamide (PubChem CID 131889341) has the molecular formula C22H31N3O2S and a molecular weight of 401.58 g/mol. Its IUPAC name is 5-ethyl-4-(pyrrolidin-1-ylmethyl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-4-(pyrrolidin-1-ylmethyl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]furan-2-carboxamide
PubChem CID131889341
Molecular FormulaC22H31N3O2S
Molecular Weight401.58 g/mol
Exact Mass401.21
IUPAC Name5-ethyl-4-(pyrrolidin-1-ylmethyl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]furan-2-carboxamide
SMILESCCc1oc(C(=O)NC2CCCN(Cc3cccs3)C2)cc1CN1CCCC1
InChIInChI=1S/C22H31N3O2S/c1-2-20-17(14-24-9-3-4-10-24)13-21(27-20)22(26)23-18-7-5-11-25(15-18)16-19-8-6-12-28-19/h6,8,12-13,18H,2-5,7,9-11,14-16H2,1H3,(H,23,26)
InChIKeyZSZZSHXITPRMCB-UHFFFAOYSA-N
XLogP3.89
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.58
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-acetyl-N-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]thiophene-3-carboxamide
CID 97438421
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CID 56911223
4-methyl-2-propan-2-yl-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide
CID 72909192
3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]propanamide
CID 131915591
5-oxo-5-phenyl-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]pentanamide
CID 131905750
5-ethyl-4-(pyrrolidin-1-ylmethyl)-N-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]furan-2-carboxamide
CID 126445682
N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 74247458
5-ethyl-N-(oxolan-2-ylmethyl)-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 46983992
4-oxo-N-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-3H-quinazoline-2-carboxamide
CID 137225427
2-[[[1-(thiophen-2-ylmethyl)piperidin-3-yl]amino]methyl]benzoic acid
CID 131904569
4-sulfamoyl-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]butanamide
CID 131929491
N-[(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]azepan-3-yl]-2-thiophen-2-ylacetamide
CID 96579788

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(pyrrolidin-1-ylmethyl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]furan-2-carboxamide?
The IUPAC name of 5-ethyl-4-(pyrrolidin-1-ylmethyl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]furan-2-carboxamide (CID 131889341) is 5-ethyl-4-(pyrrolidin-1-ylmethyl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]furan-2-carboxamide.
What is the SMILES notation for 5-ethyl-4-(pyrrolidin-1-ylmethyl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]furan-2-carboxamide?
The canonical SMILES for 5-ethyl-4-(pyrrolidin-1-ylmethyl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]furan-2-carboxamide is CCc1oc(C(=O)NC2CCCN(Cc3cccs3)C2)cc1CN1CCCC1.
What is the InChIKey of 5-ethyl-4-(pyrrolidin-1-ylmethyl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]furan-2-carboxamide?
The InChIKey is ZSZZSHXITPRMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2S/c1-2-20-17(14-24-9-3-4-10-24)13-21(27-20)22(26)23-18-7-5-11-25(15-18)16-19-8-6-12-28-19/h6,8,12-13,18H,2-5,7,9-11,14-16H2,1H3,(H,23,26).
What are the key properties of 5-ethyl-4-(pyrrolidin-1-ylmethyl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]furan-2-carboxamide?
5-ethyl-4-(pyrrolidin-1-ylmethyl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]furan-2-carboxamide has a molecular weight of 401.58 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(pyrrolidin-1-ylmethyl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]furan-2-carboxamide is sourced from PubChem (CID 131889341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).