4-(3-hydroxypyrrolidin-1-yl)sulfonyl-N-[2-(1H-imidazol-5-yl)ethyl]benzamide

C16H20N4O4S — CID 70739425

IUPAC4-(3-hydroxypyrrolidin-1-yl)sulfonyl-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
SMILESO=C(NCCc1cnc[nH]1)c1ccc(S(=O)(=O)N2CCC(O)C2)cc1
InChIInChI=1S/C16H20N4O4S/c21-14-6-8-20(10-14)25(23,24)15-3-1-12(2-4-15)16(22)18-7-5-13-9-17-11-19-13/h1-4,9,11,14,21H,5-8,10H2,(H,17,19)(H,18,22)
InChIKeyFRHXAPVYLAIIHU-UHFFFAOYSA-N
MW364.43 g/mol
LogP0.14
Rot. Bonds6

About 4-(3-hydroxypyrrolidin-1-yl)sulfonyl-N-[2-(1H-imidazol-5-yl)ethyl]benzamide

4-(3-hydroxypyrrolidin-1-yl)sulfonyl-N-[2-(1H-imidazol-5-yl)ethyl]benzamide (PubChem CID 70739425) has the molecular formula C16H20N4O4S and a molecular weight of 364.43 g/mol. Its IUPAC name is 4-(3-hydroxypyrrolidin-1-yl)sulfonyl-N-[2-(1H-imidazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(3-hydroxypyrrolidin-1-yl)sulfonyl-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
PubChem CID70739425
Molecular FormulaC16H20N4O4S
Molecular Weight364.43 g/mol
Exact Mass364.12
IUPAC Name4-(3-hydroxypyrrolidin-1-yl)sulfonyl-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
SMILESO=C(NCCc1cnc[nH]1)c1ccc(S(=O)(=O)N2CCC(O)C2)cc1
InChIInChI=1S/C16H20N4O4S/c21-14-6-8-20(10-14)25(23,24)15-3-1-12(2-4-15)16(22)18-7-5-13-9-17-11-19-13/h1-4,9,11,14,21H,5-8,10H2,(H,17,19)(H,18,22)
InChIKeyFRHXAPVYLAIIHU-UHFFFAOYSA-N
XLogP0.14
TPSA115.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-(3-hydroxypyrrolidin-1-yl)sulfonyl-N-[2-(1H-imidazol-5-yl)ethyl]benzamide 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

N-[2-(1H-imidazol-5-yl)ethyl]-4-sulfamoylbenzamide
CID 10851318
4-(hydroxymethyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 65231177
N-(2,2-difluoroethyl)-4-[(3S)-3-hydroxypiperidin-1-yl]sulfonylbenzamide
CID 97139801
N-[2-(1H-imidazol-5-yl)ethyl]-4-piperidin-3-ylbenzamide
CID 77082920
N-[2-(1H-imidazol-5-yl)ethyl]-4-[[(3S)-piperidin-3-yl]methyl]benzamide
CID 95721087
N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 27644813
4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-N-(2-pyrazol-1-ylethyl)benzamide
CID 97127601
N-[[4-(3-hydroxypyrrolidin-1-yl)sulfonylphenyl]methyl]acetamide
CID 62917136
4-(3-hydroxy-3-methylbutyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 56914204
4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-phenylethyl)benzamide
CID 109061005
N-[2-(ethylamino)ethyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119504648
1-(4-iodophenyl)sulfonylpyrrolidin-3-ol
CID 62918644

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxypyrrolidin-1-yl)sulfonyl-N-[2-(1H-imidazol-5-yl)ethyl]benzamide?
The IUPAC name of 4-(3-hydroxypyrrolidin-1-yl)sulfonyl-N-[2-(1H-imidazol-5-yl)ethyl]benzamide (CID 70739425) is 4-(3-hydroxypyrrolidin-1-yl)sulfonyl-N-[2-(1H-imidazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 4-(3-hydroxypyrrolidin-1-yl)sulfonyl-N-[2-(1H-imidazol-5-yl)ethyl]benzamide?
The canonical SMILES for 4-(3-hydroxypyrrolidin-1-yl)sulfonyl-N-[2-(1H-imidazol-5-yl)ethyl]benzamide is O=C(NCCc1cnc[nH]1)c1ccc(S(=O)(=O)N2CCC(O)C2)cc1.
What is the InChIKey of 4-(3-hydroxypyrrolidin-1-yl)sulfonyl-N-[2-(1H-imidazol-5-yl)ethyl]benzamide?
The InChIKey is FRHXAPVYLAIIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4S/c21-14-6-8-20(10-14)25(23,24)15-3-1-12(2-4-15)16(22)18-7-5-13-9-17-11-19-13/h1-4,9,11,14,21H,5-8,10H2,(H,17,19)(H,18,22).
What are the key properties of 4-(3-hydroxypyrrolidin-1-yl)sulfonyl-N-[2-(1H-imidazol-5-yl)ethyl]benzamide?
4-(3-hydroxypyrrolidin-1-yl)sulfonyl-N-[2-(1H-imidazol-5-yl)ethyl]benzamide has a molecular weight of 364.43 g/mol, XLogP of 0.14, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxypyrrolidin-1-yl)sulfonyl-N-[2-(1H-imidazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 70739425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).