2-[(3-methylphenyl)sulfonylamino]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide

C19H21F3N4O3S — CID 121142678

IUPAC2-[(3-methylphenyl)sulfonylamino]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide
SMILESCc1cccc(S(=O)(=O)NCC(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)C2)c1
InChIInChI=1S/C19H21F3N4O3S/c1-13-3-2-4-16(9-13)30(28,29)24-11-18(27)25-15-7-8-26(12-15)17-6-5-14(10-23-17)19(20,21)22/h2-6,9-10,15,24H,7-8,11-12H2,1H3,(H,25,27)
InChIKeyGIIKEFBKEKYMPQ-UHFFFAOYSA-N
MW442.46 g/mol
LogP2.08
Rot. Bonds6

About 2-[(3-methylphenyl)sulfonylamino]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide

2-[(3-methylphenyl)sulfonylamino]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide (PubChem CID 121142678) has the molecular formula C19H21F3N4O3S and a molecular weight of 442.46 g/mol. Its IUPAC name is 2-[(3-methylphenyl)sulfonylamino]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[(3-methylphenyl)sulfonylamino]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide
PubChem CID121142678
Molecular FormulaC19H21F3N4O3S
Molecular Weight442.46 g/mol
Exact Mass442.13
IUPAC Name2-[(3-methylphenyl)sulfonylamino]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide
SMILESCc1cccc(S(=O)(=O)NCC(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)C2)c1
InChIInChI=1S/C19H21F3N4O3S/c1-13-3-2-4-16(9-13)30(28,29)24-11-18(27)25-15-7-8-26(12-15)17-6-5-14(10-23-17)19(20,21)22/h2-6,9-10,15,24H,7-8,11-12H2,1H3,(H,25,27)
InChIKeyGIIKEFBKEKYMPQ-UHFFFAOYSA-N
XLogP2.08
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.46
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methylphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
CID 121142708
3-[(3-chlorophenyl)sulfonylamino]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide
CID 55708355
4-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142844
3-[(2-fluorophenyl)sulfonylamino]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
CID 121142673
3-methoxy-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzenesulfonamide
CID 121142907
N-cycloheptyl-2-[(3-methylphenyl)sulfonylamino]acetamide
CID 112995022
3-(3,4-dimethylphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
CID 121142717
2,2-dimethyl-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
CID 124760927
2,4-dimethyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzenesulfonamide
CID 121142903
2-pyrazol-1-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide
CID 121142764
2-naphthalen-2-yloxy-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide
CID 121142759
3-cyclohexyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
CID 121142589

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenyl)sulfonylamino]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-[(3-methylphenyl)sulfonylamino]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide (CID 121142678) is 2-[(3-methylphenyl)sulfonylamino]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-[(3-methylphenyl)sulfonylamino]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-[(3-methylphenyl)sulfonylamino]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide is Cc1cccc(S(=O)(=O)NCC(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)C2)c1.
What is the InChIKey of 2-[(3-methylphenyl)sulfonylamino]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide?
The InChIKey is GIIKEFBKEKYMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O3S/c1-13-3-2-4-16(9-13)30(28,29)24-11-18(27)25-15-7-8-26(12-15)17-6-5-14(10-23-17)19(20,21)22/h2-6,9-10,15,24H,7-8,11-12H2,1H3,(H,25,27).
What are the key properties of 2-[(3-methylphenyl)sulfonylamino]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide?
2-[(3-methylphenyl)sulfonylamino]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide has a molecular weight of 442.46 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylphenyl)sulfonylamino]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 121142678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).