N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C18H23N3O5S — CID 108563474

IUPACN-[1-(4-methoxybenzoyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCOc1ccc(C(=O)N2CCC(NS(=O)(=O)c3c(C)noc3C)CC2)cc1
InChIInChI=1S/C18H23N3O5S/c1-12-17(13(2)26-19-12)27(23,24)20-15-8-10-21(11-9-15)18(22)14-4-6-16(25-3)7-5-14/h4-7,15,20H,8-11H2,1-3H3
InChIKeyNKHKYKWZUBYIMV-UHFFFAOYSA-N
MW393.47 g/mol
LogP1.88
Rot. Bonds5

About N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 108563474) has the molecular formula C18H23N3O5S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-methoxybenzoyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID108563474
Molecular FormulaC18H23N3O5S
Molecular Weight393.47 g/mol
Exact Mass393.14
IUPAC NameN-[1-(4-methoxybenzoyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCOc1ccc(C(=O)N2CCC(NS(=O)(=O)c3c(C)noc3C)CC2)cc1
InChIInChI=1S/C18H23N3O5S/c1-12-17(13(2)26-19-12)27(23,24)20-15-8-10-21(11-9-15)18(22)14-4-6-16(25-3)7-5-14/h4-7,15,20H,8-11H2,1-3H3
InChIKeyNKHKYKWZUBYIMV-UHFFFAOYSA-N
XLogP1.88
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3-fluorobenzoyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 108566886
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 108565743
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-2,5-dimethylbenzenesulfonamide
CID 108563470
N-[4-[[1-(4-methoxybenzoyl)piperidin-4-yl]sulfamoyl]phenyl]acetamide
CID 108563478
4-methoxy-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide
CID 50823789
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-4-nitrobenzenesulfonamide
CID 108563476
3,5-dimethyl-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]-1,2-oxazole-4-sulfonamide
CID 108565222
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 51307617
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2-(4-methoxyphenyl)acetamide
CID 108559543
N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 5308247
N-[1-(2,4-dimethylbenzoyl)piperidin-4-yl]-4-methoxybenzenesulfonamide
CID 50823683
N-cyclopentyl-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 3226941

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 108563474) is N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is COc1ccc(C(=O)N2CCC(NS(=O)(=O)c3c(C)noc3C)CC2)cc1.
What is the InChIKey of N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is NKHKYKWZUBYIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5S/c1-12-17(13(2)26-19-12)27(23,24)20-15-8-10-21(11-9-15)18(22)14-4-6-16(25-3)7-5-14/h4-7,15,20H,8-11H2,1-3H3.
What are the key properties of N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 393.47 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 108563474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).