2-[[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]-methylamino]-N-propan-2-ylacetamide

C17H20F2N4O3S — CID 133351800

IUPAC2-[[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)c1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2)cn1
InChIInChI=1S/C17H20F2N4O3S/c1-11(2)21-17(24)10-23(3)16-5-4-15(9-20-16)27(25,26)22-14-7-12(18)6-13(19)8-14/h4-9,11,22H,10H2,1-3H3,(H,21,24)
InChIKeyHMGCFYPHPNJIKI-UHFFFAOYSA-N
MW398.44 g/mol
LogP2.12
Rot. Bonds7

About 2-[[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]-methylamino]-N-propan-2-ylacetamide

2-[[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]-methylamino]-N-propan-2-ylacetamide (PubChem CID 133351800) has the molecular formula C17H20F2N4O3S and a molecular weight of 398.44 g/mol. Its IUPAC name is 2-[[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]-methylamino]-N-propan-2-ylacetamide
PubChem CID133351800
Molecular FormulaC17H20F2N4O3S
Molecular Weight398.44 g/mol
Exact Mass398.12
IUPAC Name2-[[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)c1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2)cn1
InChIInChI=1S/C17H20F2N4O3S/c1-11(2)21-17(24)10-23(3)16-5-4-15(9-20-16)27(25,26)22-14-7-12(18)6-13(19)8-14/h4-9,11,22H,10H2,1-3H3,(H,21,24)
InChIKeyHMGCFYPHPNJIKI-UHFFFAOYSA-N
XLogP2.12
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-cyanoethyl(methyl)amino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide
CID 133381584
6-[(4-cyanophenyl)methyl-methylamino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide
CID 133290962
2-[(5-bromo-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide
CID 55206707
2-[methyl-[5-(methylaminomethyl)-2-pyridinyl]amino]-N-propan-2-ylacetamide
CID 80630228
N-tert-butyl-2-[[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]amino]propanamide
CID 133351813
N-(4-fluorophenyl)-2-[methyl-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide
CID 4877465
N-(3,5-difluorophenyl)-6-[(2-hydroxy-2-methylpropyl)amino]pyridine-3-sulfonamide
CID 133351839
N-[2-[[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]amino]ethyl]acetamide
CID 133352522
N-(4-fluorophenyl)-2-[methyl-(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide
CID 9195440
2-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide
CID 115773860
2-[methyl(pyrazin-2-yl)amino]-N-propan-2-ylacetamide
CID 39877236
N-(3,5-difluorophenyl)-6-[1-(furan-2-yl)ethylamino]pyridine-3-sulfonamide
CID 133358492

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]-methylamino]-N-propan-2-ylacetamide (CID 133351800) is 2-[[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]-methylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(C)c1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2)cn1.
What is the InChIKey of 2-[[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]-methylamino]-N-propan-2-ylacetamide?
The InChIKey is HMGCFYPHPNJIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4O3S/c1-11(2)21-17(24)10-23(3)16-5-4-15(9-20-16)27(25,26)22-14-7-12(18)6-13(19)8-14/h4-9,11,22H,10H2,1-3H3,(H,21,24).
What are the key properties of 2-[[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]-methylamino]-N-propan-2-ylacetamide?
2-[[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]-methylamino]-N-propan-2-ylacetamide has a molecular weight of 398.44 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 133351800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).