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

C18H22N4O5S — CID 55641637

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
SMILESCc1noc(C)c1CN(C)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1
InChIInChI=1S/C18H22N4O5S/c1-12-16(13(2)27-20-12)10-21(3)18(24)14-5-4-6-15(9-14)28(25,26)22-8-7-19-17(23)11-22/h4-6,9H,7-8,10-11H2,1-3H3,(H,19,23)
InChIKeyMEEWIRKPSOURRT-UHFFFAOYSA-N
MW406.46 g/mol
LogP0.68
Rot. Bonds5

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

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(3-oxopiperazin-1-yl)sulfonylbenzamide (PubChem CID 55641637) has the molecular formula C18H22N4O5S and a molecular weight of 406.46 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(3-oxopiperazin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
PubChem CID55641637
Molecular FormulaC18H22N4O5S
Molecular Weight406.46 g/mol
Exact Mass406.13
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
SMILESCc1noc(C)c1CN(C)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1
InChIInChI=1S/C18H22N4O5S/c1-12-16(13(2)27-20-12)10-21(3)18(24)14-5-4-6-15(9-14)28(25,26)22-8-7-19-17(23)11-22/h4-6,9H,7-8,10-11H2,1-3H3,(H,19,23)
InChIKeyMEEWIRKPSOURRT-UHFFFAOYSA-N
XLogP0.68
TPSA112.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(3-oxopiperazin-1-yl)sulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-methylbenzamide
CID 55621463
4-[3-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carbonyl]phenyl]sulfonylpiperazin-2-one
CID 55753901
N-benzyl-3-(3-oxopiperazin-1-yl)sulfonyl-N-(2-phenylethyl)benzamide
CID 38357882
4-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 55621643
N-cyclopentyl-N-(furan-2-ylmethyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 55587870
N-(2-amino-2-methylpropyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride
CID 119630422
N-[(5-chlorothiophen-2-yl)methyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 32833995
N-(3-methyl-2-pyridinyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 25332424
N-[[2-(methoxymethyl)phenyl]methyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 30855899
(4-methoxyphenyl) 3-(3-oxopiperazin-1-yl)sulfonylbenzoate
CID 30783557
N-(3-methylbutan-2-yl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 43053331
N-[(2R)-2-(ethylamino)propyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 120653983

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(3-oxopiperazin-1-yl)sulfonylbenzamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(3-oxopiperazin-1-yl)sulfonylbenzamide (CID 55641637) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(3-oxopiperazin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(3-oxopiperazin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(3-oxopiperazin-1-yl)sulfonylbenzamide is Cc1noc(C)c1CN(C)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(3-oxopiperazin-1-yl)sulfonylbenzamide?
The InChIKey is MEEWIRKPSOURRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O5S/c1-12-16(13(2)27-20-12)10-21(3)18(24)14-5-4-6-15(9-14)28(25,26)22-8-7-19-17(23)11-22/h4-6,9H,7-8,10-11H2,1-3H3,(H,19,23).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(3-oxopiperazin-1-yl)sulfonylbenzamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(3-oxopiperazin-1-yl)sulfonylbenzamide has a molecular weight of 406.46 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 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]-N-methyl-3-(3-oxopiperazin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 55641637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).