N-[3-(tert-butylsulfonylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

C17H27ClN2O3S — CID 119784319

IUPACN-[3-(tert-butylsulfonylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)CC2CCCN2)c1.Cl
InChIInChI=1S/C17H26N2O3S.ClH/c1-17(2,3)23(21,22)12-13-6-4-7-15(10-13)19-16(20)11-14-8-5-9-18-14;/h4,6-7,10,14,18H,5,8-9,11-12H2,1-3H3,(H,19,20);1H
InChIKeyDUKVSLGYFMIOQT-UHFFFAOYSA-N
MW374.93 g/mol
LogP2.90
Rot. Bonds5

About N-[3-(tert-butylsulfonylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

N-[3-(tert-butylsulfonylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (PubChem CID 119784319) has the molecular formula C17H27ClN2O3S and a molecular weight of 374.93 g/mol. Its IUPAC name is N-[3-(tert-butylsulfonylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(tert-butylsulfonylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
PubChem CID119784319
Molecular FormulaC17H27ClN2O3S
Molecular Weight374.93 g/mol
Exact Mass374.14
IUPAC NameN-[3-(tert-butylsulfonylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)CC2CCCN2)c1.Cl
InChIInChI=1S/C17H26N2O3S.ClH/c1-17(2,3)23(21,22)12-13-6-4-7-15(10-13)19-16(20)11-14-8-5-9-18-14;/h4,6-7,10,14,18H,5,8-9,11-12H2,1-3H3,(H,19,20);1H
InChIKeyDUKVSLGYFMIOQT-UHFFFAOYSA-N
XLogP2.90
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.93
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(cyclohexylsulfonylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119784568
2-pyrrolidin-2-yl-N-[3-(3,3,3-trifluoropropyl)phenyl]acetamide;hydrochloride
CID 119819406
N-(3-methylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670441
2-pyrrolidin-2-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 61366397
N-(3-fluorophenyl)-2-pyrrolidin-2-ylacetamide
CID 61371784
N-[3-(carbamoylamino)phenyl]-2-pyrrolidin-2-ylacetamide
CID 61364636
N-(3-acetamidophenyl)-2-piperidin-2-ylacetamide
CID 43151365
N-(3-propan-2-ylphenyl)-2-pyrrolidin-2-ylacetamide
CID 61372360
2-methyl-N-[3-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]propanamide
CID 61366011
2-pyrrolidin-2-yl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]acetamide;dihydrochloride
CID 119869806
N-(3-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide
CID 61363868
N-(3-phenoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119673254

Frequently Asked Questions

What is the IUPAC name of N-[3-(tert-butylsulfonylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The IUPAC name of N-[3-(tert-butylsulfonylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (CID 119784319) is N-[3-(tert-butylsulfonylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-[3-(tert-butylsulfonylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-[3-(tert-butylsulfonylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)CC2CCCN2)c1.Cl.
What is the InChIKey of N-[3-(tert-butylsulfonylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The InChIKey is DUKVSLGYFMIOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S.ClH/c1-17(2,3)23(21,22)12-13-6-4-7-15(10-13)19-16(20)11-14-8-5-9-18-14;/h4,6-7,10,14,18H,5,8-9,11-12H2,1-3H3,(H,19,20);1H.
What are the key properties of N-[3-(tert-butylsulfonylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
N-[3-(tert-butylsulfonylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride has a molecular weight of 374.93 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(tert-butylsulfonylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119784319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).