N-(2-ethylsulfanylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide

C20H26N2O4S2 — CID 30275465

IUPACN-(2-ethylsulfanylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
SMILESCCCOc1ccc(N(CC(=O)Nc2ccccc2SCC)S(C)(=O)=O)cc1
InChIInChI=1S/C20H26N2O4S2/c1-4-14-26-17-12-10-16(11-13-17)22(28(3,24)25)15-20(23)21-18-8-6-7-9-19(18)27-5-2/h6-13H,4-5,14-15H2,1-3H3,(H,21,23)
InChIKeyNHOUAJZVFLGEHL-UHFFFAOYSA-N
MW422.57 g/mol
LogP3.99
Rot. Bonds10

About N-(2-ethylsulfanylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide

N-(2-ethylsulfanylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide (PubChem CID 30275465) has the molecular formula C20H26N2O4S2 and a molecular weight of 422.57 g/mol. Its IUPAC name is N-(2-ethylsulfanylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide.

Molecular Properties

Compound NameN-(2-ethylsulfanylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
PubChem CID30275465
Molecular FormulaC20H26N2O4S2
Molecular Weight422.57 g/mol
Exact Mass422.13
IUPAC NameN-(2-ethylsulfanylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
SMILESCCCOc1ccc(N(CC(=O)Nc2ccccc2SCC)S(C)(=O)=O)cc1
InChIInChI=1S/C20H26N2O4S2/c1-4-14-26-17-12-10-16(11-13-17)22(28(3,24)25)15-20(23)21-18-8-6-7-9-19(18)27-5-2/h6-13H,4-5,14-15H2,1-3H3,(H,21,23)
InChIKeyNHOUAJZVFLGEHL-UHFFFAOYSA-N
XLogP3.99
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzhydryl-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30276609
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethylsulfanylphenyl)acetamide
CID 30306819
N-(2,5-dimethylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30258326
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)acetamide
CID 92686139
N-(2-ethylsulfanylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30275443
N-(2-ethylsulfanylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30275463
N-(4-ethylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30262204
2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2-phenylsulfanylphenyl)acetamide
CID 21372798
N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 30220188
N-(2-methyl-6-propan-2-ylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30270265
2-(N-methylsulfonyl-4-propoxyanilino)-N-(2-phenylethyl)acetamide
CID 30257371
2-(N-methylsulfonyl-4-propoxyanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 100576300

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide?
The IUPAC name of N-(2-ethylsulfanylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide (CID 30275465) is N-(2-ethylsulfanylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide.
What is the SMILES notation for N-(2-ethylsulfanylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide?
The canonical SMILES for N-(2-ethylsulfanylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide is CCCOc1ccc(N(CC(=O)Nc2ccccc2SCC)S(C)(=O)=O)cc1.
What is the InChIKey of N-(2-ethylsulfanylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide?
The InChIKey is NHOUAJZVFLGEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S2/c1-4-14-26-17-12-10-16(11-13-17)22(28(3,24)25)15-20(23)21-18-8-6-7-9-19(18)27-5-2/h6-13H,4-5,14-15H2,1-3H3,(H,21,23).
What are the key properties of N-(2-ethylsulfanylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide?
N-(2-ethylsulfanylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide has a molecular weight of 422.57 g/mol, XLogP of 3.99, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide is sourced from PubChem (CID 30275465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).