2-[4-[[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]sulfamoyl]phenoxy]acetamide

C17H21N3O4S2 — CID 126853834

IUPAC2-[4-[[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]sulfamoyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(S(=O)(=O)NC2CCN(Cc3ccsc3)C2)cc1
InChIInChI=1S/C17H21N3O4S2/c18-17(21)11-24-15-1-3-16(4-2-15)26(22,23)19-14-5-7-20(10-14)9-13-6-8-25-12-13/h1-4,6,8,12,14,19H,5,7,9-11H2,(H2,18,21)
InChIKeySPZFQWZCIJSQLL-UHFFFAOYSA-N
MW395.51 g/mol
LogP1.16
Rot. Bonds8

About 2-[4-[[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]sulfamoyl]phenoxy]acetamide

2-[4-[[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]sulfamoyl]phenoxy]acetamide (PubChem CID 126853834) has the molecular formula C17H21N3O4S2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 2-[4-[[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]sulfamoyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]sulfamoyl]phenoxy]acetamide
PubChem CID126853834
Molecular FormulaC17H21N3O4S2
Molecular Weight395.51 g/mol
Exact Mass395.10
IUPAC Name2-[4-[[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]sulfamoyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(S(=O)(=O)NC2CCN(Cc3ccsc3)C2)cc1
InChIInChI=1S/C17H21N3O4S2/c18-17(21)11-24-15-1-3-16(4-2-15)26(22,23)19-14-5-7-20(10-14)9-13-6-8-25-12-13/h1-4,6,8,12,14,19H,5,7,9-11H2,(H2,18,21)
InChIKeySPZFQWZCIJSQLL-UHFFFAOYSA-N
XLogP1.16
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(1-ethylpyrrolidin-3-yl)sulfamoyl]phenoxy]acetic acid
CID 167982876
N-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]pyrrolidin-3-yl]-4-methoxybenzenesulfonamide
CID 25046055
N-[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]pyrrolidin-3-yl]-4-methoxybenzenesulfonamide
CID 25040869
N-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]pyrrolidin-3-yl]benzenesulfonamide
CID 25042421
N-(1-benzylpyrrolidin-3-yl)benzenesulfonamide
CID 51169833
4-(dimethylsulfamoyl)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]benzamide
CID 126851459
2-[4-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]phenoxy]acetamide
CID 62069126
N-[(3S)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]pyrrolidin-3-yl]-4-methoxybenzenesulfonamide
CID 25035195
N-[(3S)-1-benzylpyrrolidin-3-yl]-4-bromobenzenesulfonamide
CID 40783049
4-chloro-N-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]benzenesulfonamide
CID 25037622
N-(1-benzylpyrrolidin-3-yl)-4-iodobenzenesulfonamide;hydrochloride
CID 53421091
4-ethoxy-N-(1-ethylpiperidin-4-yl)benzenesulfonamide
CID 22772564

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]sulfamoyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]sulfamoyl]phenoxy]acetamide (CID 126853834) is 2-[4-[[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]sulfamoyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]sulfamoyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]sulfamoyl]phenoxy]acetamide is NC(=O)COc1ccc(S(=O)(=O)NC2CCN(Cc3ccsc3)C2)cc1.
What is the InChIKey of 2-[4-[[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]sulfamoyl]phenoxy]acetamide?
The InChIKey is SPZFQWZCIJSQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S2/c18-17(21)11-24-15-1-3-16(4-2-15)26(22,23)19-14-5-7-20(10-14)9-13-6-8-25-12-13/h1-4,6,8,12,14,19H,5,7,9-11H2,(H2,18,21).
What are the key properties of 2-[4-[[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]sulfamoyl]phenoxy]acetamide?
2-[4-[[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]sulfamoyl]phenoxy]acetamide has a molecular weight of 395.51 g/mol, XLogP of 1.16, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]sulfamoyl]phenoxy]acetamide is sourced from PubChem (CID 126853834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).