4-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide

C19H24ClN3O4S — CID 55621643

IUPAC4-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1noc(C)c1CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H24ClN3O4S/c1-13-16(14(2)27-21-13)12-22(3)19(24)15-7-8-17(20)18(11-15)28(25,26)23-9-5-4-6-10-23/h7-8,11H,4-6,9-10,12H2,1-3H3
InChIKeyZRFORCBYAZLVCU-UHFFFAOYSA-N
MW425.94 g/mol
LogP3.39
Rot. Bonds5

About 4-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide

4-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 55621643) has the molecular formula C19H24ClN3O4S and a molecular weight of 425.94 g/mol. Its IUPAC name is 4-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide
PubChem CID55621643
Molecular FormulaC19H24ClN3O4S
Molecular Weight425.94 g/mol
Exact Mass425.12
IUPAC Name4-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1noc(C)c1CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H24ClN3O4S/c1-13-16(14(2)27-21-13)12-22(3)19(24)15-7-8-17(20)18(11-15)28(25,26)23-9-5-4-6-10-23/h7-8,11H,4-6,9-10,12H2,1-3H3
InChIKeyZRFORCBYAZLVCU-UHFFFAOYSA-N
XLogP3.39
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.94
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-ethyl-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 134057878
3-(azepan-1-ylsulfonyl)-4-chloro-N-methyl-N-(2-methylpropyl)benzamide
CID 134058564
4-chloro-N-methyl-N-(2-methylpropyl)-3-piperidin-1-ylsulfonylbenzamide
CID 134058596
4-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 9226980
4-chloro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 9475405
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxy-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55621630
4-chloro-N,N-diethyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 25247053
4-chloro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 24504608
N,N-dibutyl-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2359100
4-chloro-N-cyclohexyl-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 27670624
N-benzyl-N,4-dimethyl-3-piperidin-1-ylsulfonylbenzamide
CID 26912781
(5-methyl-1,2-oxazol-3-yl)methyl 4-chloro-3-piperidin-1-ylsulfonylbenzoate
CID 8868013

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide (CID 55621643) is 4-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide is Cc1noc(C)c1CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 4-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is ZRFORCBYAZLVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O4S/c1-13-16(14(2)27-21-13)12-22(3)19(24)15-7-8-17(20)18(11-15)28(25,26)23-9-5-4-6-10-23/h7-8,11H,4-6,9-10,12H2,1-3H3.
What are the key properties of 4-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide?
4-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 425.94 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 55621643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).