N-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide

C23H25ClN4O4S — CID 53132971

IUPACN-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide
SMILESCC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C23H25ClN4O4S/c1-15-4-5-18(22-16(2)26-32-23(22)25-17(3)29)14-21(15)33(30,31)28-12-10-27(11-13-28)20-8-6-19(24)7-9-20/h4-9,14H,10-13H2,1-3H3,(H,25,29)
InChIKeyZWCDFKXZJWHOJP-UHFFFAOYSA-N
MW489.00 g/mol
LogP4.08
Rot. Bonds5

About N-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide

N-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide (PubChem CID 53132971) has the molecular formula C23H25ClN4O4S and a molecular weight of 489.00 g/mol. Its IUPAC name is N-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide
PubChem CID53132971
Molecular FormulaC23H25ClN4O4S
Molecular Weight489.00 g/mol
Exact Mass488.13
IUPAC NameN-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide
SMILESCC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C23H25ClN4O4S/c1-15-4-5-18(22-16(2)26-32-23(22)25-17(3)29)14-21(15)33(30,31)28-12-10-27(11-13-28)20-8-6-19(24)7-9-20/h4-9,14H,10-13H2,1-3H3,(H,25,29)
InChIKeyZWCDFKXZJWHOJP-UHFFFAOYSA-N
XLogP4.08
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.00
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-methyl-4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1,2-oxazol-5-yl]acetamide
CID 53133053
N-[3-ethyl-4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2-oxazol-5-yl]acetamide
CID 53133346
N-[4-[3-[(4-chloro-2-methylphenyl)sulfamoyl]-4-methylphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide
CID 53132969
4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylmorpholine
CID 53054322
4-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]benzamide
CID 166209572
2-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 55627407
4-[3-(4-benzylpiperazin-1-yl)sulfonyl-4-methylphenyl]-3,5-dimethyl-1,2-oxazole
CID 118121112
N-[4-[3-[(4-chloro-2-methylphenyl)sulfamoyl]-4-methylphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide
CID 53133267
[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
CID 20930695
[3-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-5-yl]-morpholin-4-ylmethanone
CID 50823388
5-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]sulfonyl-4-methylphenyl]-3,4-dimethyl-1,2-oxazole
CID 20935548
N-[4-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methylphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide
CID 53133276

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide?
The IUPAC name of N-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide (CID 53132971) is N-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for N-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for N-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide is CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of N-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide?
The InChIKey is ZWCDFKXZJWHOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O4S/c1-15-4-5-18(22-16(2)26-32-23(22)25-17(3)29)14-21(15)33(30,31)28-12-10-27(11-13-28)20-8-6-19(24)7-9-20/h4-9,14H,10-13H2,1-3H3,(H,25,29).
What are the key properties of N-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide?
N-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide has a molecular weight of 489.00 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 53132971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).