N-tert-butyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide

C16H24N2O4S — CID 1082973

IUPACN-tert-butyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
SMILESCC(C)(C)NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C16H24N2O4S/c1-16(2,3)17-15(19)12-22-13-6-8-14(9-7-13)23(20,21)18-10-4-5-11-18/h6-9H,4-5,10-12H2,1-3H3,(H,17,19)
InChIKeyQMKHKVZIWIRYHI-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.76
Rot. Bonds5

About N-tert-butyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide

N-tert-butyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide (PubChem CID 1082973) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-tert-butyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
PubChem CID1082973
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC NameN-tert-butyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
SMILESCC(C)(C)NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C16H24N2O4S/c1-16(2,3)17-15(19)12-22-13-6-8-14(9-7-13)23(20,21)18-10-4-5-11-18/h6-9H,4-5,10-12H2,1-3H3,(H,17,19)
InChIKeyQMKHKVZIWIRYHI-UHFFFAOYSA-N
XLogP1.76
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
The IUPAC name of N-tert-butyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide (CID 1082973) is N-tert-butyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide.
What is the SMILES notation for N-tert-butyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
The canonical SMILES for N-tert-butyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide is CC(C)(C)NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-tert-butyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
The InChIKey is QMKHKVZIWIRYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-16(2,3)17-15(19)12-22-13-6-8-14(9-7-13)23(20,21)18-10-4-5-11-18/h6-9H,4-5,10-12H2,1-3H3,(H,17,19).
What are the key properties of N-tert-butyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
N-tert-butyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide has a molecular weight of 340.45 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide is sourced from PubChem (CID 1082973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).