N-(3-ethylphenyl)-2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]acetamide

C16H25N3O3S — CID 126817515

IUPACN-(3-ethylphenyl)-2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]acetamide
SMILESCCNS(=O)(=O)C1CCN(CC(=O)Nc2cccc(CC)c2)C1
InChIInChI=1S/C16H25N3O3S/c1-3-13-6-5-7-14(10-13)18-16(20)12-19-9-8-15(11-19)23(21,22)17-4-2/h5-7,10,15,17H,3-4,8-9,11-12H2,1-2H3,(H,18,20)
InChIKeyWLEMMBOAUWESIZ-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.20
Rot. Bonds7

About N-(3-ethylphenyl)-2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]acetamide

N-(3-ethylphenyl)-2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]acetamide (PubChem CID 126817515) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]acetamide
PubChem CID126817515
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-(3-ethylphenyl)-2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]acetamide
SMILESCCNS(=O)(=O)C1CCN(CC(=O)Nc2cccc(CC)c2)C1
InChIInChI=1S/C16H25N3O3S/c1-3-13-6-5-7-14(10-13)18-16(20)12-19-9-8-15(11-19)23(21,22)17-4-2/h5-7,10,15,17H,3-4,8-9,11-12H2,1-2H3,(H,18,20)
InChIKeyWLEMMBOAUWESIZ-UHFFFAOYSA-N
XLogP1.20
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-ethylphenyl)-2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-aminopyrrolidin-1-yl)-N-(3-ethylphenyl)acetamide
CID 62067698
1-[2-(3-ethylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63032214
N-(3-ethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide
CID 119923733
N-(3-ethylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60642263
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(3-ethylphenyl)acetamide
CID 119926805
N-(3-ethylphenyl)-2-(3-formylpiperidin-1-yl)acetamide
CID 62656016
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(3-ethylphenyl)acetamide;hydrochloride
CID 119926804
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-ethylphenyl)acetamide
CID 9104917
N-(3-ethylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8691104
3-amino-1-[2-(3-ethylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 107324880
N-(3-ethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 36846051
N-(3-ethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 8592549

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(3-ethylphenyl)-2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]acetamide (CID 126817515) is N-(3-ethylphenyl)-2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(3-ethylphenyl)-2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(3-ethylphenyl)-2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]acetamide is CCNS(=O)(=O)C1CCN(CC(=O)Nc2cccc(CC)c2)C1.
What is the InChIKey of N-(3-ethylphenyl)-2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]acetamide?
The InChIKey is WLEMMBOAUWESIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-3-13-6-5-7-14(10-13)18-16(20)12-19-9-8-15(11-19)23(21,22)17-4-2/h5-7,10,15,17H,3-4,8-9,11-12H2,1-2H3,(H,18,20).
What are the key properties of N-(3-ethylphenyl)-2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]acetamide?
N-(3-ethylphenyl)-2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]acetamide has a molecular weight of 339.46 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 126817515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).