N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide

C23H32FN3O2S — CID 56578959

IUPACN-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCCC1C(=O)N1CCSCC1)NCC1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C23H32FN3O2S/c24-19-7-5-18(6-8-19)23(9-1-2-10-23)17-25-21(28)16-27-11-3-4-20(27)22(29)26-12-14-30-15-13-26/h5-8,20H,1-4,9-17H2,(H,25,28)
InChIKeyYRMIRLHUJGJEMZ-UHFFFAOYSA-N
MW433.59 g/mol
LogP2.79
Rot. Bonds6

About N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide

N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide (PubChem CID 56578959) has the molecular formula C23H32FN3O2S and a molecular weight of 433.59 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
PubChem CID56578959
Molecular FormulaC23H32FN3O2S
Molecular Weight433.59 g/mol
Exact Mass433.22
IUPAC NameN-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCCC1C(=O)N1CCSCC1)NCC1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C23H32FN3O2S/c24-19-7-5-18(6-8-19)23(9-1-2-10-23)17-25-21(28)16-27-11-3-4-20(27)22(29)26-12-14-30-15-13-26/h5-8,20H,1-4,9-17H2,(H,25,28)
InChIKeyYRMIRLHUJGJEMZ-UHFFFAOYSA-N
XLogP2.79
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.59
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-oxo-2-[(1-phenylcyclopentyl)methylamino]ethyl]pyrrolidine-2-carboxylic acid
CID 119908491
1-[2-oxo-2-[(1-phenylcyclohexyl)methylamino]ethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119908743
N-methyl-1-[2-oxo-2-[(1-phenylcyclopentyl)methylamino]ethyl]pyrrolidine-2-carboxamide
CID 86831653
N-(4-methylphenyl)-2-[(2S)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
CID 95149005
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]propanamide
CID 56578732
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 55745993
2-(cyclopropylmethylamino)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide;hydrochloride
CID 119731159
N-[2-(4-ethoxyphenoxy)ethyl]-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
CID 56542058
(2S)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111427973
N-(1,3,4-thiadiazol-2-yl)-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
CID 56805329
2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 56578799
N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 51092079

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide (CID 56578959) is N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide is O=C(CN1CCCC1C(=O)N1CCSCC1)NCC1(c2ccc(F)cc2)CCCC1.
What is the InChIKey of N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide?
The InChIKey is YRMIRLHUJGJEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FN3O2S/c24-19-7-5-18(6-8-19)23(9-1-2-10-23)17-25-21(28)16-27-11-3-4-20(27)22(29)26-12-14-30-15-13-26/h5-8,20H,1-4,9-17H2,(H,25,28).
What are the key properties of N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide?
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide has a molecular weight of 433.59 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 56578959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).