N-(2-chloro-4-methylphenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide

C20H19ClN2O4S2 — CID 16552072

IUPACN-(2-chloro-4-methylphenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
SMILESCc1ccc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)c(Cl)c1
InChIInChI=1S/C20H19ClN2O4S2/c1-14-5-10-18(17(21)12-14)22-19(24)13-27-16-8-6-15(7-9-16)23(2)29(25,26)20-4-3-11-28-20/h3-12H,13H2,1-2H3,(H,22,24)
InChIKeyVKFXWGHLRKTXKN-UHFFFAOYSA-N
MW450.97 g/mol
LogP4.55
Rot. Bonds7

About N-(2-chloro-4-methylphenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide

N-(2-chloro-4-methylphenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide (PubChem CID 16552072) has the molecular formula C20H19ClN2O4S2 and a molecular weight of 450.97 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
PubChem CID16552072
Molecular FormulaC20H19ClN2O4S2
Molecular Weight450.97 g/mol
Exact Mass450.05
IUPAC NameN-(2-chloro-4-methylphenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
SMILESCc1ccc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)c(Cl)c1
InChIInChI=1S/C20H19ClN2O4S2/c1-14-5-10-18(17(21)12-14)22-19(24)13-27-16-8-6-15(7-9-16)23(2)29(25,26)20-4-3-11-28-20/h3-12H,13H2,1-2H3,(H,22,24)
InChIKeyVKFXWGHLRKTXKN-UHFFFAOYSA-N
XLogP4.55
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.97
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-chloro-4-methylphenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]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-(3,5-dimethylphenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 16545390
N-(5-tert-butyl-2-methoxyphenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 16546418
N-ethyl-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 26057856
N-(4-fluorophenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 16547796
N-[4-(carbamoylamino)phenyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 33152745
N-(4-bromo-3-methylphenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 16545387
methyl 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 42982225
N-(5-bromo-2-pyridinyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 55450694
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 31527622
2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 35358917
[2-(4-chloroanilino)-2-oxoethyl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 2339750
N-(2-methylpropyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 26057857

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide (CID 16552072) is N-(2-chloro-4-methylphenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide is Cc1ccc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide?
The InChIKey is VKFXWGHLRKTXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4S2/c1-14-5-10-18(17(21)12-14)22-19(24)13-27-16-8-6-15(7-9-16)23(2)29(25,26)20-4-3-11-28-20/h3-12H,13H2,1-2H3,(H,22,24).
What are the key properties of N-(2-chloro-4-methylphenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide?
N-(2-chloro-4-methylphenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide has a molecular weight of 450.97 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide is sourced from PubChem (CID 16552072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).