2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide

C20H25N3O4S — CID 26671200

IUPAC2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide
SMILESCCOc1ccc([C@H]2CCCN2CC(=O)Nc2cccc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C20H25N3O4S/c1-2-27-17-10-8-15(9-11-17)19-7-4-12-23(19)14-20(24)22-16-5-3-6-18(13-16)28(21,25)26/h3,5-6,8-11,13,19H,2,4,7,12,14H2,1H3,(H,22,24)(H2,21,25,26)/t19-/m1/s1
InChIKeyLVCIOSRNSSMZGX-LJQANCHMSA-N
MW403.50 g/mol
LogP2.51
Rot. Bonds7

About 2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide

2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide (PubChem CID 26671200) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide
PubChem CID26671200
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide
SMILESCCOc1ccc([C@H]2CCCN2CC(=O)Nc2cccc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C20H25N3O4S/c1-2-27-17-10-8-15(9-11-17)19-7-4-12-23(19)14-20(24)22-16-5-3-6-18(13-16)28(21,25)26/h3,5-6,8-11,13,19H,2,4,7,12,14H2,1H3,(H,22,24)(H2,21,25,26)/t19-/m1/s1
InChIKeyLVCIOSRNSSMZGX-LJQANCHMSA-N
XLogP2.51
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(diethylsulfamoyl)phenyl]-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 55499255
3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)propanamide
CID 86952115
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 55530071
4-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide
CID 46662798
2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-methylsulfonylphenyl)acetamide
CID 8857144
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-N-(3-methylsulfonylphenyl)acetamide
CID 46614612
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(3-sulfamoylphenyl)acetamide
CID 34752593
2-[(2S)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-[(1R)-1-(2-methylphenyl)ethyl]acetamide
CID 98483129
N-cyclopentyl-2-[[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]benzamide
CID 46615258
N-(4-ethoxyphenyl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 8973188
N-phenyl-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 18137699
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 46647103

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide (CID 26671200) is 2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide is CCOc1ccc([C@H]2CCCN2CC(=O)Nc2cccc(S(N)(=O)=O)c2)cc1.
What is the InChIKey of 2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide?
The InChIKey is LVCIOSRNSSMZGX-LJQANCHMSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-2-27-17-10-8-15(9-11-17)19-7-4-12-23(19)14-20(24)22-16-5-3-6-18(13-16)28(21,25)26/h3,5-6,8-11,13,19H,2,4,7,12,14H2,1H3,(H,22,24)(H2,21,25,26)/t19-/m1/s1.
What are the key properties of 2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide?
2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide has a molecular weight of 403.50 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide is sourced from PubChem (CID 26671200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).