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

C23H25F2N3O5S — CID 53124987

IUPACN-(3,4-difluorophenyl)-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)c(F)c4)CC3)ccc21
InChIInChI=1S/C23H25F2N3O5S/c1-2-9-28-20-6-4-17(14-21(20)33-23(28)30)34(31,32)27-10-7-15(8-11-27)12-22(29)26-16-3-5-18(24)19(25)13-16/h3-6,13-15H,2,7-12H2,1H3,(H,26,29)
InChIKeyHAKRZLWAKFATLJ-UHFFFAOYSA-N
MW493.53 g/mol
LogP3.71
Rot. Bonds7

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

N-(3,4-difluorophenyl)-2-[1-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide (PubChem CID 53124987) has the molecular formula C23H25F2N3O5S and a molecular weight of 493.53 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[1-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[1-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide
PubChem CID53124987
Molecular FormulaC23H25F2N3O5S
Molecular Weight493.53 g/mol
Exact Mass493.15
IUPAC NameN-(3,4-difluorophenyl)-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)c(F)c4)CC3)ccc21
InChIInChI=1S/C23H25F2N3O5S/c1-2-9-28-20-6-4-17(14-21(20)33-23(28)30)34(31,32)27-10-7-15(8-11-27)12-22(29)26-16-3-5-18(24)19(25)13-16/h3-6,13-15H,2,7-12H2,1H3,(H,26,29)
InChIKeyHAKRZLWAKFATLJ-UHFFFAOYSA-N
XLogP3.71
TPSA101.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.53
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluorophenyl)-2-[1-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide
CID 53124967
N-(3-chloro-4-fluorophenyl)-2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide
CID 53124877
2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 53124845
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-chlorophenyl)-2-[1-[(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide
CID 53124902
N-(3,4-difluorophenyl)-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide
CID 53106366
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-(3-ethylphenyl)-2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-1,3-benzoxazol-3-yl]acetamide
CID 20868490
N-(4-fluorophenyl)-2-(2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide
CID 19260094
N-(4-tert-butylphenyl)-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide
CID 16567882

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[1-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[1-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide (CID 53124987) is N-(3,4-difluorophenyl)-2-[1-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[1-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-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)c(F)c4)CC3)ccc21.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[1-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide?
The InChIKey is HAKRZLWAKFATLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N3O5S/c1-2-9-28-20-6-4-17(14-21(20)33-23(28)30)34(31,32)27-10-7-15(8-11-27)12-22(29)26-16-3-5-18(24)19(25)13-16/h3-6,13-15H,2,7-12H2,1H3,(H,26,29).
What are the key properties of N-(3,4-difluorophenyl)-2-[1-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide?
N-(3,4-difluorophenyl)-2-[1-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide has a molecular weight of 493.53 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[1-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 53124987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).