N-(2-phenylsulfanylphenyl)-4-pyrrolidin-1-ylsulfonylbutanamide

C20H24N2O3S2 — CID 112845023

IUPACN-(2-phenylsulfanylphenyl)-4-pyrrolidin-1-ylsulfonylbutanamide
SMILESO=C(CCCS(=O)(=O)N1CCCC1)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C20H24N2O3S2/c23-20(13-8-16-27(24,25)22-14-6-7-15-22)21-18-11-4-5-12-19(18)26-17-9-2-1-3-10-17/h1-5,9-12H,6-8,13-16H2,(H,21,23)
InChIKeyRBXKEUIMVWJTFJ-UHFFFAOYSA-N
MW404.56 g/mol
LogP3.98
Rot. Bonds8

About N-(2-phenylsulfanylphenyl)-4-pyrrolidin-1-ylsulfonylbutanamide

N-(2-phenylsulfanylphenyl)-4-pyrrolidin-1-ylsulfonylbutanamide (PubChem CID 112845023) has the molecular formula C20H24N2O3S2 and a molecular weight of 404.56 g/mol. Its IUPAC name is N-(2-phenylsulfanylphenyl)-4-pyrrolidin-1-ylsulfonylbutanamide.

Molecular Properties

Compound NameN-(2-phenylsulfanylphenyl)-4-pyrrolidin-1-ylsulfonylbutanamide
PubChem CID112845023
Molecular FormulaC20H24N2O3S2
Molecular Weight404.56 g/mol
Exact Mass404.12
IUPAC NameN-(2-phenylsulfanylphenyl)-4-pyrrolidin-1-ylsulfonylbutanamide
SMILESO=C(CCCS(=O)(=O)N1CCCC1)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C20H24N2O3S2/c23-20(13-8-16-27(24,25)22-14-6-7-15-22)21-18-11-4-5-12-19(18)26-17-9-2-1-3-10-17/h1-5,9-12H,6-8,13-16H2,(H,21,23)
InChIKeyRBXKEUIMVWJTFJ-UHFFFAOYSA-N
XLogP3.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-iodophenyl)-4-pyrrolidin-1-ylsulfonylbutanamide
CID 112844619
N-(2-phenylsulfanylphenyl)-2-pyrrolidin-1-ylacetamide
CID 4879989
4-amino-N-(2-phenylsulfanylphenyl)butanamide
CID 61253617
3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-(2-phenylsulfanylphenyl)propanamide
CID 100617845
[2-oxo-2-(2-phenylsulfanylanilino)ethyl] pyrrolidine-1-carbodithioate
CID 7607354
N-(5-amino-2-methylphenyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride
CID 120568084
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide
CID 2685640
2-hydroxy-N-(2-phenylsulfanylphenyl)acetamide
CID 8006850
N-(2-phenylsulfanylphenyl)but-3-enamide
CID 162717598
N-(2,3-dichlorophenyl)-3-piperidin-1-ylsulfonylpropanamide
CID 110342707
N-[3-oxo-3-(2-phenylsulfanylanilino)propyl]benzamide
CID 17154606
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-pyrrolidin-1-ylsulfonylbutanamide
CID 112843813

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylsulfanylphenyl)-4-pyrrolidin-1-ylsulfonylbutanamide?
The IUPAC name of N-(2-phenylsulfanylphenyl)-4-pyrrolidin-1-ylsulfonylbutanamide (CID 112845023) is N-(2-phenylsulfanylphenyl)-4-pyrrolidin-1-ylsulfonylbutanamide.
What is the SMILES notation for N-(2-phenylsulfanylphenyl)-4-pyrrolidin-1-ylsulfonylbutanamide?
The canonical SMILES for N-(2-phenylsulfanylphenyl)-4-pyrrolidin-1-ylsulfonylbutanamide is O=C(CCCS(=O)(=O)N1CCCC1)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of N-(2-phenylsulfanylphenyl)-4-pyrrolidin-1-ylsulfonylbutanamide?
The InChIKey is RBXKEUIMVWJTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S2/c23-20(13-8-16-27(24,25)22-14-6-7-15-22)21-18-11-4-5-12-19(18)26-17-9-2-1-3-10-17/h1-5,9-12H,6-8,13-16H2,(H,21,23).
What are the key properties of N-(2-phenylsulfanylphenyl)-4-pyrrolidin-1-ylsulfonylbutanamide?
N-(2-phenylsulfanylphenyl)-4-pyrrolidin-1-ylsulfonylbutanamide has a molecular weight of 404.56 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylsulfanylphenyl)-4-pyrrolidin-1-ylsulfonylbutanamide is sourced from PubChem (CID 112845023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).