2-(4-chloro-3-methylphenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide

C19H21ClN2O4S — CID 4800346

IUPAC2-(4-chloro-3-methylphenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCc1cc(OCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)ccc1Cl
InChIInChI=1S/C19H21ClN2O4S/c1-14-11-16(7-8-18(14)20)26-13-19(23)21-15-5-4-6-17(12-15)27(24,25)22-9-2-3-10-22/h4-8,11-12H,2-3,9-10,13H2,1H3,(H,21,23)
InChIKeyVEEDHTPFDIHTRA-UHFFFAOYSA-N
MW408.91 g/mol
LogP3.45
Rot. Bonds6

About 2-(4-chloro-3-methylphenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide

2-(4-chloro-3-methylphenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide (PubChem CID 4800346) has the molecular formula C19H21ClN2O4S and a molecular weight of 408.91 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
PubChem CID4800346
Molecular FormulaC19H21ClN2O4S
Molecular Weight408.91 g/mol
Exact Mass408.09
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCc1cc(OCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)ccc1Cl
InChIInChI=1S/C19H21ClN2O4S/c1-14-11-16(7-8-18(14)20)26-13-19(23)21-15-5-4-6-17(12-15)27(24,25)22-9-2-3-10-22/h4-8,11-12H,2-3,9-10,13H2,1H3,(H,21,23)
InChIKeyVEEDHTPFDIHTRA-UHFFFAOYSA-N
XLogP3.45
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.91
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide (CID 4800346) is 2-(4-chloro-3-methylphenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide is Cc1cc(OCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is VEEDHTPFDIHTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4S/c1-14-11-16(7-8-18(14)20)26-13-19(23)21-15-5-4-6-17(12-15)27(24,25)22-9-2-3-10-22/h4-8,11-12H,2-3,9-10,13H2,1H3,(H,21,23).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
2-(4-chloro-3-methylphenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 408.91 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 4800346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).