N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-3-sulfamoylpyrrolidine-1-carboxamide

C17H23N5O3S — CID 86807593

IUPACN-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-3-sulfamoylpyrrolidine-1-carboxamide
SMILESNS(=O)(=O)C1CCN(C(=O)NCc2nccn2CCc2ccccc2)C1
InChIInChI=1S/C17H23N5O3S/c18-26(24,25)15-7-10-22(13-15)17(23)20-12-16-19-8-11-21(16)9-6-14-4-2-1-3-5-14/h1-5,8,11,15H,6-7,9-10,12-13H2,(H,20,23)(H2,18,24,25)
InChIKeyNQNOOUISXWWSCJ-UHFFFAOYSA-N
MW377.47 g/mol
LogP0.70
Rot. Bonds6

About N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-3-sulfamoylpyrrolidine-1-carboxamide

N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-3-sulfamoylpyrrolidine-1-carboxamide (PubChem CID 86807593) has the molecular formula C17H23N5O3S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-3-sulfamoylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-3-sulfamoylpyrrolidine-1-carboxamide
PubChem CID86807593
Molecular FormulaC17H23N5O3S
Molecular Weight377.47 g/mol
Exact Mass377.15
IUPAC NameN-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-3-sulfamoylpyrrolidine-1-carboxamide
SMILESNS(=O)(=O)C1CCN(C(=O)NCc2nccn2CCc2ccccc2)C1
InChIInChI=1S/C17H23N5O3S/c18-26(24,25)15-7-10-22(13-15)17(23)20-12-16-19-8-11-21(16)9-6-14-4-2-1-3-5-14/h1-5,8,11,15H,6-7,9-10,12-13H2,(H,20,23)(H2,18,24,25)
InChIKeyNQNOOUISXWWSCJ-UHFFFAOYSA-N
XLogP0.70
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[1-(2-phenylethyl)imidazol-2-yl]methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122005626
1-[[1-(2-phenylethyl)imidazol-2-yl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122005629
4-[[1-(2-phenylethyl)imidazol-2-yl]methylcarbamoyl]morpholine-2-carboxylic acid
CID 146133770
N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]pyrrolidine-1-carboxamide
CID 71975541
1-[[1-(3-phenylpropyl)imidazol-2-yl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122005640
2-(cyclopropylmethylamino)-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]acetamide;dihydrochloride
CID 119898678
N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-2-pyrrolidin-1-ylacetamide
CID 166249976
1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea
CID 96970148
(3S)-3-ethyl-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]morpholine-4-carboxamide
CID 96995653
N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119898701
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]acetamide;dihydrochloride
CID 119898680
1-[(3R)-2-oxopiperidin-3-yl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea
CID 96990226

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-3-sulfamoylpyrrolidine-1-carboxamide?
The IUPAC name of N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-3-sulfamoylpyrrolidine-1-carboxamide (CID 86807593) is N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-3-sulfamoylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-3-sulfamoylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-3-sulfamoylpyrrolidine-1-carboxamide is NS(=O)(=O)C1CCN(C(=O)NCc2nccn2CCc2ccccc2)C1.
What is the InChIKey of N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-3-sulfamoylpyrrolidine-1-carboxamide?
The InChIKey is NQNOOUISXWWSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3S/c18-26(24,25)15-7-10-22(13-15)17(23)20-12-16-19-8-11-21(16)9-6-14-4-2-1-3-5-14/h1-5,8,11,15H,6-7,9-10,12-13H2,(H,20,23)(H2,18,24,25).
What are the key properties of N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-3-sulfamoylpyrrolidine-1-carboxamide?
N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-3-sulfamoylpyrrolidine-1-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-3-sulfamoylpyrrolidine-1-carboxamide is sourced from PubChem (CID 86807593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).