N-[(4-chlorophenyl)methyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide

C20H19ClN2O4S2 — CID 29221629

IUPACN-[(4-chlorophenyl)methyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide
SMILESCOc1ccccc1N(CC(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C20H19ClN2O4S2/c1-27-18-6-3-2-5-17(18)23(29(25,26)20-7-4-12-28-20)14-19(24)22-13-15-8-10-16(21)11-9-15/h2-12H,13-14H2,1H3,(H,22,24)
InChIKeyGBLHQEFBXXJSPV-UHFFFAOYSA-N
MW450.97 g/mol
LogP3.92
Rot. Bonds8

About N-[(4-chlorophenyl)methyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide

N-[(4-chlorophenyl)methyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide (PubChem CID 29221629) has the molecular formula C20H19ClN2O4S2 and a molecular weight of 450.97 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide
PubChem CID29221629
Molecular FormulaC20H19ClN2O4S2
Molecular Weight450.97 g/mol
Exact Mass450.05
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide
SMILESCOc1ccccc1N(CC(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C20H19ClN2O4S2/c1-27-18-6-3-2-5-17(18)23(29(25,26)20-7-4-12-28-20)14-19(24)22-13-15-8-10-16(21)11-9-15/h2-12H,13-14H2,1H3,(H,22,24)
InChIKeyGBLHQEFBXXJSPV-UHFFFAOYSA-N
XLogP3.92
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.97
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide
CID 29221650
N-[(3-chlorophenyl)methyl]-2-(N-(4-chlorophenyl)sulfonyl-2-methoxyanilino)acetamide
CID 2695409
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 30265604
2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-(2-phenylpropyl)acetamide
CID 24626467
methyl 2-(5-chloro-2-methoxy-N-thiophen-2-ylsulfonylanilino)acetate
CID 100549387
N-ethyl-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30255328
2-(N-(4-chlorophenyl)sulfonyl-2-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2695403
2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 30277815
N-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetamide
CID 20855632
N-[(4-chlorophenyl)methyl]-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1338540
2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-(2-methylcyclohexyl)acetamide
CID 4297432
2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7966742

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide (CID 29221629) is N-[(4-chlorophenyl)methyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide is COc1ccccc1N(CC(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide?
The InChIKey is GBLHQEFBXXJSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4S2/c1-27-18-6-3-2-5-17(18)23(29(25,26)20-7-4-12-28-20)14-19(24)22-13-15-8-10-16(21)11-9-15/h2-12H,13-14H2,1H3,(H,22,24).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide?
N-[(4-chlorophenyl)methyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide has a molecular weight of 450.97 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide is sourced from PubChem (CID 29221629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).