2-[5-(azepan-1-ylsulfonyl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)acetamide

C19H22FN3O4S — CID 53170639

IUPAC2-[5-(azepan-1-ylsulfonyl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)acetamide
SMILESO=C(Cn1cc(S(=O)(=O)N2CCCCCC2)ccc1=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H22FN3O4S/c20-15-5-7-16(8-6-15)21-18(24)14-22-13-17(9-10-19(22)25)28(26,27)23-11-3-1-2-4-12-23/h5-10,13H,1-4,11-12,14H2,(H,21,24)
InChIKeyRAGDDNDTZZRCTK-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.19
Rot. Bonds5

About 2-[5-(azepan-1-ylsulfonyl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)acetamide

2-[5-(azepan-1-ylsulfonyl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)acetamide (PubChem CID 53170639) has the molecular formula C19H22FN3O4S and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-[5-(azepan-1-ylsulfonyl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[5-(azepan-1-ylsulfonyl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)acetamide
PubChem CID53170639
Molecular FormulaC19H22FN3O4S
Molecular Weight407.47 g/mol
Exact Mass407.13
IUPAC Name2-[5-(azepan-1-ylsulfonyl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)acetamide
SMILESO=C(Cn1cc(S(=O)(=O)N2CCCCCC2)ccc1=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H22FN3O4S/c20-15-5-7-16(8-6-15)21-18(24)14-22-13-17(9-10-19(22)25)28(26,27)23-11-3-1-2-4-12-23/h5-10,13H,1-4,11-12,14H2,(H,21,24)
InChIKeyRAGDDNDTZZRCTK-UHFFFAOYSA-N
XLogP2.19
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 7992765
N-(4-ethylphenyl)-2-(2-oxo-5-piperidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 53170608
2-[5-(azepan-1-ylsulfonyl)-2-oxo-1-pyridinyl]-N-(3-methoxyphenyl)acetamide
CID 53170636
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 38931534
N-(2-ethylphenyl)-2-(2-oxo-5-piperidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 53170607
N-cyclohexyl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 7992789
N-cycloheptyl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 9267746
methyl 2-(2-oxo-5-piperidin-1-ylsulfonyl-1-pyridinyl)acetate
CID 53170566
N-butan-2-yl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 53170604
2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 8639413
N-(4-fluorophenyl)-2-(2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide
CID 19260094
N-(4-chloro-2-methylphenyl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 7992594

Frequently Asked Questions

What is the IUPAC name of 2-[5-(azepan-1-ylsulfonyl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[5-(azepan-1-ylsulfonyl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)acetamide (CID 53170639) is 2-[5-(azepan-1-ylsulfonyl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[5-(azepan-1-ylsulfonyl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[5-(azepan-1-ylsulfonyl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)acetamide is O=C(Cn1cc(S(=O)(=O)N2CCCCCC2)ccc1=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[5-(azepan-1-ylsulfonyl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)acetamide?
The InChIKey is RAGDDNDTZZRCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O4S/c20-15-5-7-16(8-6-15)21-18(24)14-22-13-17(9-10-19(22)25)28(26,27)23-11-3-1-2-4-12-23/h5-10,13H,1-4,11-12,14H2,(H,21,24).
What are the key properties of 2-[5-(azepan-1-ylsulfonyl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)acetamide?
2-[5-(azepan-1-ylsulfonyl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)acetamide has a molecular weight of 407.47 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(azepan-1-ylsulfonyl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 53170639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).