2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide

C19H24ClN3O5S — CID 53168504

IUPAC2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(c2nc(C(=O)N(C)C)c(C)o2)CC1
InChIInChI=1S/C19H24ClN3O5S/c1-12-17(19(24)22(2)3)21-18(28-12)13-7-9-23(10-8-13)29(25,26)16-11-14(20)5-6-15(16)27-4/h5-6,11,13H,7-10H2,1-4H3
InChIKeyNOXNZYGLRKKGAF-UHFFFAOYSA-N
MW441.94 g/mol
LogP2.92
Rot. Bonds5

About 2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide

2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide (PubChem CID 53168504) has the molecular formula C19H24ClN3O5S and a molecular weight of 441.94 g/mol. Its IUPAC name is 2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
PubChem CID53168504
Molecular FormulaC19H24ClN3O5S
Molecular Weight441.94 g/mol
Exact Mass441.11
IUPAC Name2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(c2nc(C(=O)N(C)C)c(C)o2)CC1
InChIInChI=1S/C19H24ClN3O5S/c1-12-17(19(24)22(2)3)21-18(28-12)13-7-9-23(10-8-13)29(25,26)16-11-14(20)5-6-15(16)27-4/h5-6,11,13H,7-10H2,1-4H3
InChIKeyNOXNZYGLRKKGAF-UHFFFAOYSA-N
XLogP2.92
TPSA92.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.94
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

1-(5-chloro-2-methoxyphenyl)sulfonyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 3230697
4-(5-chloro-2-methoxyphenyl)sulfonylmorpholine
CID 5201304
1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine
CID 757936
2-[1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
CID 53168354
[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-cyclobutylmethanone
CID 110818768
4-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-2-methylpyrimidine
CID 121162883
3-(5-chloro-2-methoxyphenyl)sulfonyl-1,3-oxazolidine
CID 110740103
1-(5-chloro-2-methoxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 2990214
4-(5-chloro-2-methoxyphenyl)sulfonylthiomorpholine
CID 27241340
2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592852
4-benzyl-1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine
CID 1106586
methyl (2S)-6-(5-chloro-2-methoxyphenyl)sulfonyl-6-azaspiro[2.5]octane-2-carboxylate
CID 129479758

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide (CID 53168504) is 2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide is COc1ccc(Cl)cc1S(=O)(=O)N1CCC(c2nc(C(=O)N(C)C)c(C)o2)CC1.
What is the InChIKey of 2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide?
The InChIKey is NOXNZYGLRKKGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O5S/c1-12-17(19(24)22(2)3)21-18(28-12)13-7-9-23(10-8-13)29(25,26)16-11-14(20)5-6-15(16)27-4/h5-6,11,13H,7-10H2,1-4H3.
What are the key properties of 2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide?
2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide has a molecular weight of 441.94 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53168504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).