N-(3-phenylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide

C20H24N2O3S — CID 7688937

IUPACN-(3-phenylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NCCCc1ccccc1)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C20H24N2O3S/c23-20(21-13-7-10-17-8-2-1-3-9-17)18-11-6-12-19(16-18)26(24,25)22-14-4-5-15-22/h1-3,6,8-9,11-12,16H,4-5,7,10,13-15H2,(H,21,23)
InChIKeyZACFZBIQUQZJFJ-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.83
Rot. Bonds7

About N-(3-phenylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide

N-(3-phenylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 7688937) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-(3-phenylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID7688937
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-(3-phenylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NCCCc1ccccc1)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C20H24N2O3S/c23-20(21-13-7-10-17-8-2-1-3-9-17)18-11-6-12-19(16-18)26(24,25)22-14-4-5-15-22/h1-3,6,8-9,11-12,16H,4-5,7,10,13-15H2,(H,21,23)
InChIKeyZACFZBIQUQZJFJ-UHFFFAOYSA-N
XLogP2.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-(3-phenylpropyl)benzamide
CID 27647131
N-[2-(3-hydroxyphenyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 52792200
3-(azepan-1-ylsulfonyl)-N-[3-(N-methylanilino)propyl]benzamide
CID 26178010
N-(2-aminoethyl)-3-(azepan-1-ylsulfonyl)benzamide;hydrochloride
CID 119382891
N-(3-morpholin-4-ylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2329278
N-(3-phenylpropyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 46349231
N-[4-(4-methylpiperazin-1-yl)butyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55656722
N-[3-(diethylamino)propyl]-3-piperidin-1-ylsulfonylbenzamide
CID 2329054
3-(azepan-1-ylsulfonyl)-N-(3-ethoxypropyl)benzamide
CID 38704329
N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]benzamide
CID 108736469
N-[3-(3-methoxyphenyl)propyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99969119
N-[3-(4-methoxyphenyl)propyl]-3-morpholin-4-ylsulfonylbenzamide
CID 52713270

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(3-phenylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide (CID 7688937) is N-(3-phenylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(3-phenylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(3-phenylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide is O=C(NCCCc1ccccc1)c1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of N-(3-phenylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is ZACFZBIQUQZJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c23-20(21-13-7-10-17-8-2-1-3-9-17)18-11-6-12-19(16-18)26(24,25)22-14-4-5-15-22/h1-3,6,8-9,11-12,16H,4-5,7,10,13-15H2,(H,21,23).
What are the key properties of N-(3-phenylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
N-(3-phenylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 372.49 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 7688937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).