2-(4-fluorophenyl)sulfonyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propanamide

C18H21FN2O4S — CID 55960898

IUPAC2-(4-fluorophenyl)sulfonyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propanamide
SMILESCC(C)Oc1ncccc1CNC(=O)C(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H21FN2O4S/c1-12(2)25-18-14(5-4-10-20-18)11-21-17(22)13(3)26(23,24)16-8-6-15(19)7-9-16/h4-10,12-13H,11H2,1-3H3,(H,21,22)
InChIKeyJPIVYYPXNLKQOH-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.49
Rot. Bonds7

About 2-(4-fluorophenyl)sulfonyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propanamide

2-(4-fluorophenyl)sulfonyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propanamide (PubChem CID 55960898) has the molecular formula C18H21FN2O4S and a molecular weight of 380.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfonyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfonyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propanamide
PubChem CID55960898
Molecular FormulaC18H21FN2O4S
Molecular Weight380.44 g/mol
Exact Mass380.12
IUPAC Name2-(4-fluorophenyl)sulfonyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propanamide
SMILESCC(C)Oc1ncccc1CNC(=O)C(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H21FN2O4S/c1-12(2)25-18-14(5-4-10-20-18)11-21-17(22)13(3)26(23,24)16-8-6-15(19)7-9-16/h4-10,12-13H,11H2,1-3H3,(H,21,22)
InChIKeyJPIVYYPXNLKQOH-UHFFFAOYSA-N
XLogP2.49
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(4-fluorophenyl)sulfonylpropanamide
CID 55818783
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide
CID 60975328
2,3-dimethyl-4-oxo-4-[(2-propan-2-yloxy-3-pyridinyl)methylamino]but-2-enoic acid
CID 76992706
1-amino-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 65464946
(2R)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 94171586
3-amino-2,2-dimethyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propanamide
CID 115426650
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61373670
(2R)-2-amino-4-methylsulfanyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]butanamide
CID 104908222
5-oxo-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 78982061
2-(butylsulfonylamino)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide
CID 71906938
1-[(2-propan-2-yloxy-3-pyridinyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 55739146
methyl 2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]acetate
CID 61375172

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfonyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propanamide?
The IUPAC name of 2-(4-fluorophenyl)sulfonyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propanamide (CID 55960898) is 2-(4-fluorophenyl)sulfonyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propanamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfonyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propanamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfonyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propanamide is CC(C)Oc1ncccc1CNC(=O)C(C)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfonyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propanamide?
The InChIKey is JPIVYYPXNLKQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O4S/c1-12(2)25-18-14(5-4-10-20-18)11-21-17(22)13(3)26(23,24)16-8-6-15(19)7-9-16/h4-10,12-13H,11H2,1-3H3,(H,21,22).
What are the key properties of 2-(4-fluorophenyl)sulfonyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propanamide?
2-(4-fluorophenyl)sulfonyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propanamide has a molecular weight of 380.44 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfonyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propanamide is sourced from PubChem (CID 55960898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).