N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxy-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylbenzamide

C21H29N3O5S — CID 55621630

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxy-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCOc1ccc(C(=O)N(C)Cc2c(C)noc2C)cc1S(=O)(=O)N1CCCCC1C
InChIInChI=1S/C21H29N3O5S/c1-14-8-6-7-11-24(14)30(26,27)20-12-17(9-10-19(20)28-5)21(25)23(4)13-18-15(2)22-29-16(18)3/h9-10,12,14H,6-8,11,13H2,1-5H3
InChIKeyIHZSUKWXTMINMJ-UHFFFAOYSA-N
MW435.55 g/mol
LogP3.14
Rot. Bonds6

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxy-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylbenzamide

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxy-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 55621630) has the molecular formula C21H29N3O5S and a molecular weight of 435.55 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxy-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxy-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID55621630
Molecular FormulaC21H29N3O5S
Molecular Weight435.55 g/mol
Exact Mass435.18
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxy-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCOc1ccc(C(=O)N(C)Cc2c(C)noc2C)cc1S(=O)(=O)N1CCCCC1C
InChIInChI=1S/C21H29N3O5S/c1-14-8-6-7-11-24(14)30(26,27)20-12-17(9-10-19(20)28-5)21(25)23(4)13-18-15(2)22-29-16(18)3/h9-10,12,14H,6-8,11,13H2,1-5H3
InChIKeyIHZSUKWXTMINMJ-UHFFFAOYSA-N
XLogP3.14
TPSA92.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-N-ethyl-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 24632509
3-[benzyl(methyl)sulfamoyl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxy-N-methylbenzamide
CID 55652909
4-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 55621643
N-(cyclopropylmethyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 43050283
[2-(dimethylamino)-2-oxoethyl] 4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 7869574
4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide
CID 9442145
N-[(3-chlorophenyl)methyl]-N-ethyl-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55594421
(2-methoxyphenyl) 4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 8778455
1,3-benzodioxol-5-yl 4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzoate
CID 5013104
phenyl 4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 7984818
N-[(2,4-dimethylphenyl)methyl]-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 46590934
N-(4-acetamidophenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 41101385

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxy-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxy-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylbenzamide (CID 55621630) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxy-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxy-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxy-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylbenzamide is COc1ccc(C(=O)N(C)Cc2c(C)noc2C)cc1S(=O)(=O)N1CCCCC1C.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxy-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is IHZSUKWXTMINMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O5S/c1-14-8-6-7-11-24(14)30(26,27)20-12-17(9-10-19(20)28-5)21(25)23(4)13-18-15(2)22-29-16(18)3/h9-10,12,14H,6-8,11,13H2,1-5H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxy-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxy-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 435.55 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxy-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 55621630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).