2-(benzenesulfonyl)-N-(4-pyrrolidin-1-ylphenyl)acetamide

C18H20N2O3S — CID 4596496

IUPAC2-(benzenesulfonyl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(CS(=O)(=O)c1ccccc1)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C18H20N2O3S/c21-18(14-24(22,23)17-6-2-1-3-7-17)19-15-8-10-16(11-9-15)20-12-4-5-13-20/h1-3,6-11H,4-5,12-14H2,(H,19,21)
InChIKeyTVUFJLIWFLWMTQ-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.70
Rot. Bonds5

About 2-(benzenesulfonyl)-N-(4-pyrrolidin-1-ylphenyl)acetamide

2-(benzenesulfonyl)-N-(4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 4596496) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-(4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID4596496
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name2-(benzenesulfonyl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(CS(=O)(=O)c1ccccc1)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C18H20N2O3S/c21-18(14-24(22,23)17-6-2-1-3-7-17)19-15-8-10-16(11-9-15)20-12-4-5-13-20/h1-3,6-11H,4-5,12-14H2,(H,19,21)
InChIKeyTVUFJLIWFLWMTQ-UHFFFAOYSA-N
XLogP2.70
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(benzenesulfonyl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 3160801
N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide
CID 16620353
N-(4-aminophenyl)-2-(benzenesulfonyl)acetamide
CID 43444150
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 27175232
N-phenyl-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109033848
3-(3-chlorophenyl)sulfonyl-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 110424864
2-bromo-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 63680073
N-phenyl-3-(4-piperidin-1-ylanilino)propanamide
CID 109033849
2-(N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100509930
(4-pyrrolidin-1-ylphenyl)carbamic acid
CID 91209465
2-benzylsulfanyl-N-(4-piperidin-1-ylphenyl)acetamide
CID 7922450
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 100509312

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(benzenesulfonyl)-N-(4-pyrrolidin-1-ylphenyl)acetamide (CID 4596496) is 2-(benzenesulfonyl)-N-(4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-(4-pyrrolidin-1-ylphenyl)acetamide is O=C(CS(=O)(=O)c1ccccc1)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of 2-(benzenesulfonyl)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is TVUFJLIWFLWMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c21-18(14-24(22,23)17-6-2-1-3-7-17)19-15-8-10-16(11-9-15)20-12-4-5-13-20/h1-3,6-11H,4-5,12-14H2,(H,19,21).
What are the key properties of 2-(benzenesulfonyl)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
2-(benzenesulfonyl)-N-(4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 344.44 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-(4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 4596496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).