N-[4-(butylsulfonylamino)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

C16H26ClN3O3S — CID 119800516

IUPACN-[4-(butylsulfonylamino)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCCCCS(=O)(=O)Nc1ccc(NC(=O)CC2CCCN2)cc1.Cl
InChIInChI=1S/C16H25N3O3S.ClH/c1-2-3-11-23(21,22)19-14-8-6-13(7-9-14)18-16(20)12-15-5-4-10-17-15;/h6-9,15,17,19H,2-5,10-12H2,1H3,(H,18,20);1H
InChIKeyFTPDTRQXCREGAN-UHFFFAOYSA-N
MW375.92 g/mol
LogP2.73
Rot. Bonds8

About N-[4-(butylsulfonylamino)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

N-[4-(butylsulfonylamino)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (PubChem CID 119800516) has the molecular formula C16H26ClN3O3S and a molecular weight of 375.92 g/mol. Its IUPAC name is N-[4-(butylsulfonylamino)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(butylsulfonylamino)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
PubChem CID119800516
Molecular FormulaC16H26ClN3O3S
Molecular Weight375.92 g/mol
Exact Mass375.14
IUPAC NameN-[4-(butylsulfonylamino)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCCCCS(=O)(=O)Nc1ccc(NC(=O)CC2CCCN2)cc1.Cl
InChIInChI=1S/C16H25N3O3S.ClH/c1-2-3-11-23(21,22)19-14-8-6-13(7-9-14)18-16(20)12-15-5-4-10-17-15;/h6-9,15,17,19H,2-5,10-12H2,1H3,(H,18,20);1H
InChIKeyFTPDTRQXCREGAN-UHFFFAOYSA-N
XLogP2.73
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.92
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(ethylsulfonylamino)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119711145
N-[4-(butylsulfonylamino)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939738
N-(4-acetamidophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119669050
N-(4-pentylphenyl)-2-pyrrolidin-2-ylacetamide
CID 61363717
N-(4-chlorophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119671239
N-[4-(butylsulfonylamino)phenyl]-2-(cyclopropylmethylamino)acetamide
CID 119800501
N-(4-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670724
N-[4-(butylsulfonylamino)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119800492
N-(3,4-dimethylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670651
N-propan-2-yl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
CID 119740098
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119719041
N-propylsulfonyl-2-pyrrolidin-2-ylacetamide
CID 103307605

Frequently Asked Questions

What is the IUPAC name of N-[4-(butylsulfonylamino)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The IUPAC name of N-[4-(butylsulfonylamino)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (CID 119800516) is N-[4-(butylsulfonylamino)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-[4-(butylsulfonylamino)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-[4-(butylsulfonylamino)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is CCCCS(=O)(=O)Nc1ccc(NC(=O)CC2CCCN2)cc1.Cl.
What is the InChIKey of N-[4-(butylsulfonylamino)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The InChIKey is FTPDTRQXCREGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S.ClH/c1-2-3-11-23(21,22)19-14-8-6-13(7-9-14)18-16(20)12-15-5-4-10-17-15;/h6-9,15,17,19H,2-5,10-12H2,1H3,(H,18,20);1H.
What are the key properties of N-[4-(butylsulfonylamino)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
N-[4-(butylsulfonylamino)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride has a molecular weight of 375.92 g/mol, XLogP of 2.73, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butylsulfonylamino)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119800516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).