N-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide

C22H29FN4O3S2 — CID 134008181

IUPACN-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESCN(CCCC1CC(c2cccc(F)c2)NN1)C(=O)C1CCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C22H29FN4O3S2/c1-26(11-3-8-18-15-19(25-24-18)16-6-2-7-17(23)14-16)22(28)20-9-4-12-27(20)32(29,30)21-10-5-13-31-21/h2,5-7,10,13-14,18-20,24-25H,3-4,8-9,11-12,15H2,1H3
InChIKeyAGGFFCXSUSUHOW-UHFFFAOYSA-N
MW480.63 g/mol
LogP2.89
Rot. Bonds8

About N-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide

N-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide (PubChem CID 134008181) has the molecular formula C22H29FN4O3S2 and a molecular weight of 480.63 g/mol. Its IUPAC name is N-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
PubChem CID134008181
Molecular FormulaC22H29FN4O3S2
Molecular Weight480.63 g/mol
Exact Mass480.17
IUPAC NameN-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESCN(CCCC1CC(c2cccc(F)c2)NN1)C(=O)C1CCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C22H29FN4O3S2/c1-26(11-3-8-18-15-19(25-24-18)16-6-2-7-17(23)14-16)22(28)20-9-4-12-27(20)32(29,30)21-10-5-13-31-21/h2,5-7,10,13-14,18-20,24-25H,3-4,8-9,11-12,15H2,1H3
InChIKeyAGGFFCXSUSUHOW-UHFFFAOYSA-N
XLogP2.89
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.63
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-N-methyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110341656
1-[5-[5-(3-fluorophenyl)pyrazolidin-3-yl]pentyl]-1-methyl-3-phenylurea
CID 52989736
N-[(3-fluorophenyl)methyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 18113933
1-(4-fluorophenyl)sulfonyl-N-methyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 18162229
(2S)-N-(4-fluorophenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7614841
(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanol
CID 61408705
4-fluoro-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide
CID 7286373
(2S)-1-thiophen-2-ylsulfonylpiperidine-2-carbonyl chloride
CID 42281719
N-(2,4-difluorophenyl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 16826422
3-[[[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl-methylcarbamoyl]amino]methyl]-N-propylbenzamide
CID 52986799
(2S)-N-[(2R)-2-(dimethylamino)propyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 95273287
N-[2-(dimethylamino)ethyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide;hydrochloride
CID 16830641

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide (CID 134008181) is N-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide is CN(CCCC1CC(c2cccc(F)c2)NN1)C(=O)C1CCCN1S(=O)(=O)c1cccs1.
What is the InChIKey of N-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is AGGFFCXSUSUHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN4O3S2/c1-26(11-3-8-18-15-19(25-24-18)16-6-2-7-17(23)14-16)22(28)20-9-4-12-27(20)32(29,30)21-10-5-13-31-21/h2,5-7,10,13-14,18-20,24-25H,3-4,8-9,11-12,15H2,1H3.
What are the key properties of N-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
N-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 480.63 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 134008181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).