2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-N-benzylacetamide

C19H22N2O3S — CID 91907615

IUPAC2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-N-benzylacetamide
SMILESO=C(CC1CCN(S(=O)(=O)c2ccccc2)C1)NCc1ccccc1
InChIInChI=1S/C19H22N2O3S/c22-19(20-14-16-7-3-1-4-8-16)13-17-11-12-21(15-17)25(23,24)18-9-5-2-6-10-18/h1-10,17H,11-15H2,(H,20,22)
InChIKeyNRDHSVDIBBHIGE-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.40
Rot. Bonds6

About 2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-N-benzylacetamide

2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-N-benzylacetamide (PubChem CID 91907615) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-N-benzylacetamide.

Molecular Properties

Compound Name2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-N-benzylacetamide
PubChem CID91907615
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-N-benzylacetamide
SMILESO=C(CC1CCN(S(=O)(=O)c2ccccc2)C1)NCc1ccccc1
InChIInChI=1S/C19H22N2O3S/c22-19(20-14-16-7-3-1-4-8-16)13-17-11-12-21(15-17)25(23,24)18-9-5-2-6-10-18/h1-10,17H,11-15H2,(H,20,22)
InChIKeyNRDHSVDIBBHIGE-UHFFFAOYSA-N
XLogP2.40
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R,4S)-1-(benzenesulfonyl)-3-ethylpiperidin-4-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 40780267
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[(2-bromophenyl)methyl]acetamide
CID 46294835
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 46294839
2-[1-(benzenesulfonyl)piperidin-3-yl]-N-piperidin-1-ylacetamide
CID 24962602
N-benzyl-3-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]propanamide
CID 91903725
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-benzylacetamide
CID 6467232
2-cyclopentyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 51197507
N-benzyl-2-(1-cyclopropylpiperidin-4-yl)acetamide
CID 110754741
N-[(3-methylphenyl)methyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 46294875
N-benzyl-2-[1-[2-(4-methylphenyl)acetyl]pyrrolidin-3-yl]acetamide
CID 91907622
3-[2-(benzylamino)-2-oxoethyl]-N-cyclohexylpyrrolidine-1-carboxamide
CID 91917752
(3S)-1-(benzenesulfonyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 28562114

Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-N-benzylacetamide?
The IUPAC name of 2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-N-benzylacetamide (CID 91907615) is 2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-N-benzylacetamide.
What is the SMILES notation for 2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-N-benzylacetamide?
The canonical SMILES for 2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-N-benzylacetamide is O=C(CC1CCN(S(=O)(=O)c2ccccc2)C1)NCc1ccccc1.
What is the InChIKey of 2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-N-benzylacetamide?
The InChIKey is NRDHSVDIBBHIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c22-19(20-14-16-7-3-1-4-8-16)13-17-11-12-21(15-17)25(23,24)18-9-5-2-6-10-18/h1-10,17H,11-15H2,(H,20,22).
What are the key properties of 2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-N-benzylacetamide?
2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-N-benzylacetamide has a molecular weight of 358.46 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-N-benzylacetamide is sourced from PubChem (CID 91907615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).