N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide

C22H24N2O3S2 — CID 71456781

IUPACN-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(NC1CCN(CCOc2ccccc2-c2ccccc2)C1)c1cccs1
InChIInChI=1S/C22H24N2O3S2/c25-29(26,22-11-6-16-28-22)23-19-12-13-24(17-19)14-15-27-21-10-5-4-9-20(21)18-7-2-1-3-8-18/h1-11,16,19,23H,12-15,17H2
InChIKeyGXJGVXJVSZWVLE-UHFFFAOYSA-N
MW428.58 g/mol
LogP3.85
Rot. Bonds8

About N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide

N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide (PubChem CID 71456781) has the molecular formula C22H24N2O3S2 and a molecular weight of 428.58 g/mol. Its IUPAC name is N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
PubChem CID71456781
Molecular FormulaC22H24N2O3S2
Molecular Weight428.58 g/mol
Exact Mass428.12
IUPAC NameN-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(NC1CCN(CCOc2ccccc2-c2ccccc2)C1)c1cccs1
InChIInChI=1S/C22H24N2O3S2/c25-29(26,22-11-6-16-28-22)23-19-12-13-24(17-19)14-15-27-21-10-5-4-9-20(21)18-7-2-1-3-8-18/h1-11,16,19,23H,12-15,17H2
InChIKeyGXJGVXJVSZWVLE-UHFFFAOYSA-N
XLogP3.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-difluoro-N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzenesulfonamide
CID 71449643
(R)-2-[4-(4-Thiophen-3-yl-benzyl)phenoxymethyl]pyrrolidine
CID 44818806
N-[1-(2-phenoxyethyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 55479093
5-chloro-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 71449629
5-chloro-N-[(3S)-1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 71449645
N-[1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 71451457
5-chloro-N-[(3R)-1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 71451459
5-chloro-N-[(3R)-1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 71451460
5-chloro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 71453252
2,5-difluoro-N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzenesulfonamide
CID 71453280
5-chloro-N-[(3S)-1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 71453282
5-chloro-N-[[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide
CID 71454997

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide (CID 71456781) is N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide is O=S(=O)(NC1CCN(CCOc2ccccc2-c2ccccc2)C1)c1cccs1.
What is the InChIKey of N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide?
The InChIKey is GXJGVXJVSZWVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S2/c25-29(26,22-11-6-16-28-22)23-19-12-13-24(17-19)14-15-27-21-10-5-4-9-20(21)18-7-2-1-3-8-18/h1-11,16,19,23H,12-15,17H2.
What are the key properties of N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide?
N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide has a molecular weight of 428.58 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 71456781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).