3-[(2-fluorophenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide

C17H21FN4O3S2 — CID 90619408

IUPAC3-[(2-fluorophenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1F)NCC1CCCN1c1nccs1
InChIInChI=1S/C17H21FN4O3S2/c18-14-5-1-2-6-15(14)27(24,25)21-8-7-16(23)20-12-13-4-3-10-22(13)17-19-9-11-26-17/h1-2,5-6,9,11,13,21H,3-4,7-8,10,12H2,(H,20,23)
InChIKeyGOCSPFMREAMZJM-UHFFFAOYSA-N
MW412.51 g/mol
LogP1.74
Rot. Bonds8

About 3-[(2-fluorophenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide

3-[(2-fluorophenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide (PubChem CID 90619408) has the molecular formula C17H21FN4O3S2 and a molecular weight of 412.51 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-[(2-fluorophenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide
PubChem CID90619408
Molecular FormulaC17H21FN4O3S2
Molecular Weight412.51 g/mol
Exact Mass412.10
IUPAC Name3-[(2-fluorophenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1F)NCC1CCCN1c1nccs1
InChIInChI=1S/C17H21FN4O3S2/c18-14-5-1-2-6-15(14)27(24,25)21-8-7-16(23)20-12-13-4-3-10-22(13)17-19-9-11-26-17/h1-2,5-6,9,11,13,21H,3-4,7-8,10,12H2,(H,20,23)
InChIKeyGOCSPFMREAMZJM-UHFFFAOYSA-N
XLogP1.74
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2-fluorophenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]benzamide
CID 90619406
2-(2-fluorophenoxy)-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide
CID 90619345
N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide
CID 90619300
2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide
CID 90619416
3-(4-chloro-3-fluorophenyl)-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide
CID 90619449
3-(4-fluoro-3-methylphenyl)-N-[[(2R)-1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide
CID 99874628
2-pyrimidin-2-ylsulfanyl-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide
CID 90619576
2-(1,3-dioxoisoindol-2-yl)-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide
CID 90619529
N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 90619443
2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide
CID 90619405
3-(4-oxoquinazolin-3-yl)-N-[[(2R)-1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide
CID 99874645
N-[[(2R)-1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]-2-(trifluoromethyl)benzamide
CID 99874598

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide?
The IUPAC name of 3-[(2-fluorophenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide (CID 90619408) is 3-[(2-fluorophenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-[(2-fluorophenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide?
The canonical SMILES for 3-[(2-fluorophenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide is O=C(CCNS(=O)(=O)c1ccccc1F)NCC1CCCN1c1nccs1.
What is the InChIKey of 3-[(2-fluorophenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide?
The InChIKey is GOCSPFMREAMZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O3S2/c18-14-5-1-2-6-15(14)27(24,25)21-8-7-16(23)20-12-13-4-3-10-22(13)17-19-9-11-26-17/h1-2,5-6,9,11,13,21H,3-4,7-8,10,12H2,(H,20,23).
What are the key properties of 3-[(2-fluorophenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide?
3-[(2-fluorophenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide has a molecular weight of 412.51 g/mol, XLogP of 1.74, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide is sourced from PubChem (CID 90619408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).