N-(4-fluorophenyl)-2-[1-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide

C23H26FN3O5S — CID 53124967

IUPACN-(4-fluorophenyl)-2-[1-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide
SMILESCCCn1c(=O)oc2cc(S(=O)(=O)N3CCC(CC(=O)Nc4ccc(F)cc4)CC3)ccc21
InChIInChI=1S/C23H26FN3O5S/c1-2-11-27-20-8-7-19(15-21(20)32-23(27)29)33(30,31)26-12-9-16(10-13-26)14-22(28)25-18-5-3-17(24)4-6-18/h3-8,15-16H,2,9-14H2,1H3,(H,25,28)
InChIKeyUAVNPIHZOFYYGP-UHFFFAOYSA-N
MW475.54 g/mol
LogP3.57
Rot. Bonds7

About N-(4-fluorophenyl)-2-[1-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide

N-(4-fluorophenyl)-2-[1-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide (PubChem CID 53124967) has the molecular formula C23H26FN3O5S and a molecular weight of 475.54 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[1-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[1-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide
PubChem CID53124967
Molecular FormulaC23H26FN3O5S
Molecular Weight475.54 g/mol
Exact Mass475.16
IUPAC NameN-(4-fluorophenyl)-2-[1-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide
SMILESCCCn1c(=O)oc2cc(S(=O)(=O)N3CCC(CC(=O)Nc4ccc(F)cc4)CC3)ccc21
InChIInChI=1S/C23H26FN3O5S/c1-2-11-27-20-8-7-19(15-21(20)32-23(27)29)33(30,31)26-12-9-16(10-13-26)14-22(28)25-18-5-3-17(24)4-6-18/h3-8,15-16H,2,9-14H2,1H3,(H,25,28)
InChIKeyUAVNPIHZOFYYGP-UHFFFAOYSA-N
XLogP3.57
TPSA101.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.54
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 53124845
N-(3,4-difluorophenyl)-2-[1-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide
CID 53124987
N-(3-chloro-4-fluorophenyl)-2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide
CID 53124877
N-(3,4-dimethylphenyl)-2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide
CID 53124861
2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]-N-(3-methoxyphenyl)acetamide
CID 53124829
N-(4-fluorophenyl)-2-(2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide
CID 19260094
N-(4-chlorophenyl)-2-[1-[(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide
CID 53124902
3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-(4-propylphenyl)propanamide
CID 24509479
2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]-N-(3-methylbutyl)acetamide
CID 53124862
N-(4-tert-butylphenyl)-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide
CID 16567882
2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 53124882
N-(4-ethylphenyl)-2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 5307802

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[1-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[1-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide (CID 53124967) is N-(4-fluorophenyl)-2-[1-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[1-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[1-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide is CCCn1c(=O)oc2cc(S(=O)(=O)N3CCC(CC(=O)Nc4ccc(F)cc4)CC3)ccc21.
What is the InChIKey of N-(4-fluorophenyl)-2-[1-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide?
The InChIKey is UAVNPIHZOFYYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O5S/c1-2-11-27-20-8-7-19(15-21(20)32-23(27)29)33(30,31)26-12-9-16(10-13-26)14-22(28)25-18-5-3-17(24)4-6-18/h3-8,15-16H,2,9-14H2,1H3,(H,25,28).
What are the key properties of N-(4-fluorophenyl)-2-[1-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide?
N-(4-fluorophenyl)-2-[1-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide has a molecular weight of 475.54 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[1-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 53124967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).