N-(2-phenylethyl)-3-pyrrolidin-1-ylsulfonylpropanamide

C15H22N2O3S — CID 110342521

IUPACN-(2-phenylethyl)-3-pyrrolidin-1-ylsulfonylpropanamide
SMILESO=C(CCS(=O)(=O)N1CCCC1)NCCc1ccccc1
InChIInChI=1S/C15H22N2O3S/c18-15(16-10-8-14-6-2-1-3-7-14)9-13-21(19,20)17-11-4-5-12-17/h1-3,6-7H,4-5,8-13H2,(H,16,18)
InChIKeyLXXWQECFVZCEDZ-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.16
Rot. Bonds7

About N-(2-phenylethyl)-3-pyrrolidin-1-ylsulfonylpropanamide

N-(2-phenylethyl)-3-pyrrolidin-1-ylsulfonylpropanamide (PubChem CID 110342521) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-(2-phenylethyl)-3-pyrrolidin-1-ylsulfonylpropanamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-3-pyrrolidin-1-ylsulfonylpropanamide
PubChem CID110342521
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-(2-phenylethyl)-3-pyrrolidin-1-ylsulfonylpropanamide
SMILESO=C(CCS(=O)(=O)N1CCCC1)NCCc1ccccc1
InChIInChI=1S/C15H22N2O3S/c18-15(16-10-8-14-6-2-1-3-7-14)9-13-21(19,20)17-11-4-5-12-17/h1-3,6-7H,4-5,8-13H2,(H,16,18)
InChIKeyLXXWQECFVZCEDZ-UHFFFAOYSA-N
XLogP1.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-phenylethyl)-3-pyrrolidin-1-ylsulfonylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(azepan-1-ylsulfonyl)ethyl]-3-phenylpropanamide
CID 110346023
N-[2-(3-chlorophenyl)ethyl]-3-piperidin-1-ylsulfonylpropanamide
CID 110342653
N-[2-(3-methoxyphenyl)ethyl]-3-piperidin-1-ylsulfonylpropanamide
CID 110342622
3-(4-methylpiperazin-1-yl)sulfonyl-N-(3-phenylpropyl)propanamide
CID 110343189
N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-3-phenylpropanamide
CID 110345257
N-[2-(1H-indol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylpropanamide
CID 110342531
N-(2-phenylethyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 43876653
methyl 4-(2-phenylethylsulfonyl)-1,4-diazepane-1-carboxylate
CID 110799069
N-(2-phenylethyl)-N'-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide
CID 30126597
3-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42440229
4-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]butanamide
CID 25285439
methyl 4-(2-phenylethylsulfonyl)piperazine-1-carboxylate
CID 110818523

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-3-pyrrolidin-1-ylsulfonylpropanamide?
The IUPAC name of N-(2-phenylethyl)-3-pyrrolidin-1-ylsulfonylpropanamide (CID 110342521) is N-(2-phenylethyl)-3-pyrrolidin-1-ylsulfonylpropanamide.
What is the SMILES notation for N-(2-phenylethyl)-3-pyrrolidin-1-ylsulfonylpropanamide?
The canonical SMILES for N-(2-phenylethyl)-3-pyrrolidin-1-ylsulfonylpropanamide is O=C(CCS(=O)(=O)N1CCCC1)NCCc1ccccc1.
What is the InChIKey of N-(2-phenylethyl)-3-pyrrolidin-1-ylsulfonylpropanamide?
The InChIKey is LXXWQECFVZCEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c18-15(16-10-8-14-6-2-1-3-7-14)9-13-21(19,20)17-11-4-5-12-17/h1-3,6-7H,4-5,8-13H2,(H,16,18).
What are the key properties of N-(2-phenylethyl)-3-pyrrolidin-1-ylsulfonylpropanamide?
N-(2-phenylethyl)-3-pyrrolidin-1-ylsulfonylpropanamide has a molecular weight of 310.42 g/mol, XLogP of 1.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-3-pyrrolidin-1-ylsulfonylpropanamide is sourced from PubChem (CID 110342521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).