N-(2-methylsulfanylphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide

C19H22N2O4S2 — CID 2208758

IUPACN-(2-methylsulfanylphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
SMILESCSc1ccccc1NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C19H22N2O4S2/c1-26-18-7-3-2-6-17(18)20-19(22)14-25-15-8-10-16(11-9-15)27(23,24)21-12-4-5-13-21/h2-3,6-11H,4-5,12-14H2,1H3,(H,20,22)
InChIKeyCSQFDXWNNSXFIY-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.21
Rot. Bonds7

About N-(2-methylsulfanylphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide

N-(2-methylsulfanylphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide (PubChem CID 2208758) has the molecular formula C19H22N2O4S2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-(2-methylsulfanylphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-methylsulfanylphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
PubChem CID2208758
Molecular FormulaC19H22N2O4S2
Molecular Weight406.53 g/mol
Exact Mass406.10
IUPAC NameN-(2-methylsulfanylphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
SMILESCSc1ccccc1NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C19H22N2O4S2/c1-26-18-7-3-2-6-17(18)20-19(22)14-25-15-8-10-16(11-9-15)27(23,24)21-12-4-5-13-21/h2-3,6-11H,4-5,12-14H2,1H3,(H,20,22)
InChIKeyCSQFDXWNNSXFIY-UHFFFAOYSA-N
XLogP3.21
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-pyrrolidin-1-ylsulfonyl-4H-1,4-benzoxazin-3-one
CID 4916037
N-[4-(aminosulfonyl)phenyl]-2-(4-ethoxyphenoxy)acetamide
CID 1193007
N-(2-ethoxyphenyl)-3-[(4-methoxyphenyl)sulfonyl]propanamide
CID 3360803
1-Phenyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]sulfonylurea
CID 60145776
2-(3-methylphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 1144627
(2S)-1-(4-methoxyphenyl)sulfonyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide
CID 26719840
N-(2-fluorophenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6457540
2-(4-Methoxy-phenoxy)-N-[4-(morpholine-4-sulfonyl)-phenyl]-acetamide
CID 646975
2-(4-Methoxy-benzenesulfonylamino)-N-phenyl-N-{[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-acetamide
CID 649466
2-Phenoxy-N-{4-[(tetrahydro-furan-2-ylmethyl)-sulfamoyl]-phenyl}-butyramide
CID 651178
N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenoxyacetamide
CID 893707
2-phenoxy-N-[4-(pyrrolidin-1-ylsulfonyl)phenyl]acetamide
CID 1010634

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
The IUPAC name of N-(2-methylsulfanylphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide (CID 2208758) is N-(2-methylsulfanylphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide.
What is the SMILES notation for N-(2-methylsulfanylphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
The canonical SMILES for N-(2-methylsulfanylphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide is CSc1ccccc1NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-(2-methylsulfanylphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
The InChIKey is CSQFDXWNNSXFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S2/c1-26-18-7-3-2-6-17(18)20-19(22)14-25-15-8-10-16(11-9-15)27(23,24)21-12-4-5-13-21/h2-3,6-11H,4-5,12-14H2,1H3,(H,20,22).
What are the key properties of N-(2-methylsulfanylphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
N-(2-methylsulfanylphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide has a molecular weight of 406.53 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide is sourced from PubChem (CID 2208758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).