N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide

C23H24ClN3O4S — CID 16622271

IUPACN-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESCc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C23H24ClN3O4S/c1-16-20(26-23(31-16)17-8-4-2-5-9-17)15-22(28)25-18-10-11-19(24)21(14-18)32(29,30)27-12-6-3-7-13-27/h2,4-5,8-11,14H,3,6-7,12-13,15H2,1H3,(H,25,28)
InChIKeyMCCUVRGXUISRMG-UHFFFAOYSA-N
MW473.98 g/mol
LogP4.66
Rot. Bonds6

About N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide

N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide (PubChem CID 16622271) has the molecular formula C23H24ClN3O4S and a molecular weight of 473.98 g/mol. Its IUPAC name is N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
PubChem CID16622271
Molecular FormulaC23H24ClN3O4S
Molecular Weight473.98 g/mol
Exact Mass473.12
IUPAC NameN-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESCc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C23H24ClN3O4S/c1-16-20(26-23(31-16)17-8-4-2-5-9-17)15-22(28)25-18-10-11-19(24)21(14-18)32(29,30)27-12-6-3-7-13-27/h2,4-5,8-11,14H,3,6-7,12-13,15H2,1H3,(H,25,28)
InChIKeyMCCUVRGXUISRMG-UHFFFAOYSA-N
XLogP4.66
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.98
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 16614455
2-hydroxy-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoic acid
CID 22087427
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16596491
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)acetamide
CID 18227851
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 16620648
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 24627396
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 24627458
N-(4-cyclopentylsulfonylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 55611201
N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 112802201
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 31703372
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide
CID 24620840
N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 27929676

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?
The IUPAC name of N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide (CID 16622271) is N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide.
What is the SMILES notation for N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?
The canonical SMILES for N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide is Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?
The InChIKey is MCCUVRGXUISRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O4S/c1-16-20(26-23(31-16)17-8-4-2-5-9-17)15-22(28)25-18-10-11-19(24)21(14-18)32(29,30)27-12-6-3-7-13-27/h2,4-5,8-11,14H,3,6-7,12-13,15H2,1H3,(H,25,28).
What are the key properties of N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?
N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide has a molecular weight of 473.98 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 16622271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).