N-(benzenesulfonyl)-2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethylphenyl)acetamide

C23H22ClNO4S — CID 19217425

IUPACN-(benzenesulfonyl)-2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(N(C(=O)COc2ccc(Cl)c(C)c2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C23H22ClNO4S/c1-16-9-10-17(2)22(13-16)25(30(27,28)20-7-5-4-6-8-20)23(26)15-29-19-11-12-21(24)18(3)14-19/h4-14H,15H2,1-3H3
InChIKeyIUWITQKUIDQVPZ-UHFFFAOYSA-N
MW443.95 g/mol
LogP5.07
Rot. Bonds6

About N-(benzenesulfonyl)-2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethylphenyl)acetamide

N-(benzenesulfonyl)-2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethylphenyl)acetamide (PubChem CID 19217425) has the molecular formula C23H22ClNO4S and a molecular weight of 443.95 g/mol. Its IUPAC name is N-(benzenesulfonyl)-2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethylphenyl)acetamide
PubChem CID19217425
Molecular FormulaC23H22ClNO4S
Molecular Weight443.95 g/mol
Exact Mass443.10
IUPAC NameN-(benzenesulfonyl)-2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(N(C(=O)COc2ccc(Cl)c(C)c2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C23H22ClNO4S/c1-16-9-10-17(2)22(13-16)25(30(27,28)20-7-5-4-6-8-20)23(26)15-29-19-11-12-21(24)18(3)14-19/h4-14H,15H2,1-3H3
InChIKeyIUWITQKUIDQVPZ-UHFFFAOYSA-N
XLogP5.07
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.95
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(benzenesulfonyl)-2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethylphenyl)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-(benzenesulfonyl)-N-(2,5-dimethylphenyl)-2-(4-phenylphenoxy)acetamide
CID 19217899
N-(benzenesulfonyl)-2-(4-chloro-3-methylphenoxy)-N-phenylacetamide
CID 19217409
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
CID 19218271
2-(4-bromophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)acetamide
CID 19212751
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-2-(4-ethylphenoxy)acetamide
CID 19212848
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-phenoxybutanamide
CID 19218621
N-(benzenesulfonyl)-2-chloro-N-(2,5-dimethylphenyl)benzamide
CID 19210699
N-(benzenesulfonyl)-2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 19212675
2-(2-tert-butyl-4-methylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)acetamide
CID 19217731
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-(3-methylphenoxy)butanamide
CID 19218729
N-(benzenesulfonyl)-2-(3,5-dimethylphenoxy)-N-(4-methylphenyl)acetamide
CID 19217513
4-(benzenesulfonylmethoxy)-1-chloro-2-methylbenzene
CID 15591978

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethylphenyl)acetamide?
The IUPAC name of N-(benzenesulfonyl)-2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethylphenyl)acetamide (CID 19217425) is N-(benzenesulfonyl)-2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for N-(benzenesulfonyl)-2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for N-(benzenesulfonyl)-2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(N(C(=O)COc2ccc(Cl)c(C)c2)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-(benzenesulfonyl)-2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethylphenyl)acetamide?
The InChIKey is IUWITQKUIDQVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClNO4S/c1-16-9-10-17(2)22(13-16)25(30(27,28)20-7-5-4-6-8-20)23(26)15-29-19-11-12-21(24)18(3)14-19/h4-14H,15H2,1-3H3.
What are the key properties of N-(benzenesulfonyl)-2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethylphenyl)acetamide?
N-(benzenesulfonyl)-2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 443.95 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 19217425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).