N-[4-[2-[4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]phenyl]acetamide

C22H24N4O6S — CID 53121210

IUPACN-[4-[2-[4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)CC2)cc1
InChIInChI=1S/C22H24N4O6S/c1-15(27)23-17-5-3-16(4-6-17)13-21(28)25-9-11-26(12-10-25)33(30,31)18-7-8-19-20(14-18)32-22(29)24(19)2/h3-8,14H,9-13H2,1-2H3,(H,23,27)
InChIKeyBJZPOGWMIZFHQO-UHFFFAOYSA-N
MW472.52 g/mol
LogP1.17
Rot. Bonds5

About N-[4-[2-[4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]phenyl]acetamide

N-[4-[2-[4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]phenyl]acetamide (PubChem CID 53121210) has the molecular formula C22H24N4O6S and a molecular weight of 472.52 g/mol. Its IUPAC name is N-[4-[2-[4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]phenyl]acetamide
PubChem CID53121210
Molecular FormulaC22H24N4O6S
Molecular Weight472.52 g/mol
Exact Mass472.14
IUPAC NameN-[4-[2-[4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)CC2)cc1
InChIInChI=1S/C22H24N4O6S/c1-15(27)23-17-5-3-16(4-6-17)13-21(28)25-9-11-26(12-10-25)33(30,31)18-7-8-19-20(14-18)32-22(29)24(19)2/h3-8,14H,9-13H2,1-2H3,(H,23,27)
InChIKeyBJZPOGWMIZFHQO-UHFFFAOYSA-N
XLogP1.17
TPSA121.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-[2-[4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]phenyl]acetamide 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-[4-[2-[4-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]phenyl]acetamide
CID 53121281
6-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 53121225
6-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 110422305
N-[4-[2-[4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]phenyl]acetamide
CID 53064950
6-[4-[2-(3,5-dimethoxyphenyl)acetyl]piperazin-1-yl]sulfonyl-3-ethyl-1,3-benzoxazol-2-one
CID 53121323
6-[4-(azepane-1-carbonyl)piperidin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 20869028
N-methyl-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-4-carboxamide
CID 110350785
N-[4-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]phenyl]acetamide
CID 9151335
3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-(4-propylphenyl)propanamide
CID 24509479
6-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 79411361
2-[1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 53124780
N-(4-ethylphenyl)-2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 5307802

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-[4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]phenyl]acetamide (CID 53121210) is N-[4-[2-[4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]phenyl]acetamide is CC(=O)Nc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)CC2)cc1.
What is the InChIKey of N-[4-[2-[4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]phenyl]acetamide?
The InChIKey is BJZPOGWMIZFHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O6S/c1-15(27)23-17-5-3-16(4-6-17)13-21(28)25-9-11-26(12-10-25)33(30,31)18-7-8-19-20(14-18)32-22(29)24(19)2/h3-8,14H,9-13H2,1-2H3,(H,23,27).
What are the key properties of N-[4-[2-[4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]phenyl]acetamide?
N-[4-[2-[4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]phenyl]acetamide has a molecular weight of 472.52 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]phenyl]acetamide is sourced from PubChem (CID 53121210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).