4-fluoro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzothiophene-2-carboxamide

C20H21FN2O2S — CID 40972340

IUPAC4-fluoro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)NC[C@@H](c2ccco2)N2CCCC2)sc2cccc(F)c12
InChIInChI=1S/C20H21FN2O2S/c1-13-18-14(21)6-4-8-17(18)26-19(13)20(24)22-12-15(16-7-5-11-25-16)23-9-2-3-10-23/h4-8,11,15H,2-3,9-10,12H2,1H3,(H,22,24)/t15-/m0/s1
InChIKeyGZEJITDTCFMBIS-HNNXBMFYSA-N
MW372.47 g/mol
LogP4.51
Rot. Bonds5

About 4-fluoro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzothiophene-2-carboxamide

4-fluoro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzothiophene-2-carboxamide (PubChem CID 40972340) has the molecular formula C20H21FN2O2S and a molecular weight of 372.47 g/mol. Its IUPAC name is 4-fluoro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzothiophene-2-carboxamide
PubChem CID40972340
Molecular FormulaC20H21FN2O2S
Molecular Weight372.47 g/mol
Exact Mass372.13
IUPAC Name4-fluoro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)NC[C@@H](c2ccco2)N2CCCC2)sc2cccc(F)c12
InChIInChI=1S/C20H21FN2O2S/c1-13-18-14(21)6-4-8-17(18)26-19(13)20(24)22-12-15(16-7-5-11-25-16)23-9-2-3-10-23/h4-8,11,15H,2-3,9-10,12H2,1H3,(H,22,24)/t15-/m0/s1
InChIKeyGZEJITDTCFMBIS-HNNXBMFYSA-N
XLogP4.51
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzothiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 26834331
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 94180275
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 26004114
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylbenzamide
CID 43842816
2-(furan-2-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-methyl-1,3-thiazole-4-carboxamide
CID 51934328
4-fluoro-3-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1-benzothiophene-2-carboxamide
CID 120811663
N-(3-amino-2-methylpropyl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 119995209
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methylbenzamide
CID 26834257
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylsulfanylbenzamide
CID 2456837
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylbenzamide
CID 4883742
4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4877480
4-fluoro-3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1-benzothiophene-2-carboxamide
CID 103723279

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-fluoro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzothiophene-2-carboxamide (CID 40972340) is 4-fluoro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzothiophene-2-carboxamide is Cc1c(C(=O)NC[C@@H](c2ccco2)N2CCCC2)sc2cccc(F)c12.
What is the InChIKey of 4-fluoro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is GZEJITDTCFMBIS-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H21FN2O2S/c1-13-18-14(21)6-4-8-17(18)26-19(13)20(24)22-12-15(16-7-5-11-25-16)23-9-2-3-10-23/h4-8,11,15H,2-3,9-10,12H2,1H3,(H,22,24)/t15-/m0/s1.
What are the key properties of 4-fluoro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzothiophene-2-carboxamide?
4-fluoro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 40972340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).