N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

C17H28ClN3O3S — CID 119751238

IUPACN-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCC(C)(C)NS(=O)(=O)c1ccccc1CNC(=O)CC1CCCN1.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-17(2,3)20-24(22,23)15-9-5-4-7-13(15)12-19-16(21)11-14-8-6-10-18-14;/h4-5,7,9,14,18,20H,6,8,10-12H2,1-3H3,(H,19,21);1H
InChIKeyVJIYZMJCQHAWHF-UHFFFAOYSA-N
MW389.95 g/mol
LogP1.94
Rot. Bonds6

About N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (PubChem CID 119751238) has the molecular formula C17H28ClN3O3S and a molecular weight of 389.95 g/mol. Its IUPAC name is N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
PubChem CID119751238
Molecular FormulaC17H28ClN3O3S
Molecular Weight389.95 g/mol
Exact Mass389.15
IUPAC NameN-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCC(C)(C)NS(=O)(=O)c1ccccc1CNC(=O)CC1CCCN1.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-17(2,3)20-24(22,23)15-9-5-4-7-13(15)12-19-16(21)11-14-8-6-10-18-14;/h4-5,7,9,14,18,20H,6,8,10-12H2,1-3H3,(H,19,21);1H
InChIKeyVJIYZMJCQHAWHF-UHFFFAOYSA-N
XLogP1.94
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.95
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(methoxymethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 61363866
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119845632
N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119869680
N-[(2,3-dimethoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119708902
N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-2-pyrrolidin-2-ylacetamide
CID 119798990
N-[(2-phenylsulfanylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119777713
N-[(4-tert-butylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119707437
N-[(2-phenylmethoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119736953
N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-4-(methylamino)butanamide;hydrochloride
CID 119751202
N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119697590
N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119811513
N-[(2,5-dimethylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 115160160

Frequently Asked Questions

What is the IUPAC name of N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The IUPAC name of N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (CID 119751238) is N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is CC(C)(C)NS(=O)(=O)c1ccccc1CNC(=O)CC1CCCN1.Cl.
What is the InChIKey of N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The InChIKey is VJIYZMJCQHAWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S.ClH/c1-17(2,3)20-24(22,23)15-9-5-4-7-13(15)12-19-16(21)11-14-8-6-10-18-14;/h4-5,7,9,14,18,20H,6,8,10-12H2,1-3H3,(H,19,21);1H.
What are the key properties of N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride has a molecular weight of 389.95 g/mol, XLogP of 1.94, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119751238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).