N-(1-phenylethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

C21H26N2O3S — CID 17468734

IUPACN-(1-phenylethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESCC(NC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1
InChIInChI=1S/C21H26N2O3S/c1-17(19-7-3-2-4-8-19)22-21(24)14-11-18-9-12-20(13-10-18)27(25,26)23-15-5-6-16-23/h2-4,7-10,12-13,17H,5-6,11,14-16H2,1H3,(H,22,24)
InChIKeyXTPIZUKJOQJMGQ-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.28
Rot. Bonds7

About N-(1-phenylethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

N-(1-phenylethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide (PubChem CID 17468734) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-(1-phenylethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
PubChem CID17468734
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-(1-phenylethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESCC(NC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1
InChIInChI=1S/C21H26N2O3S/c1-17(19-7-3-2-4-8-19)22-21(24)14-11-18-9-12-20(13-10-18)27(25,26)23-15-5-6-16-23/h2-4,7-10,12-13,17H,5-6,11,14-16H2,1H3,(H,22,24)
InChIKeyXTPIZUKJOQJMGQ-UHFFFAOYSA-N
XLogP3.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 40938284
N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 28557494
(2R)-3-methyl-2-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]butanoic acid
CID 119368533
3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]propanamide
CID 100796384
N-[(1S)-1-phenylethyl]-2-(4-pyrrolidin-1-ylsulfonylanilino)acetamide
CID 9083684
methyl 3-phenyl-3-[3-(4-piperidin-1-ylsulfonylphenyl)propanoylamino]propanoate
CID 46483405
N-(2-phenylbutyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 43016058
1-(1-phenylethyl)-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea
CID 42928204
(2R)-4-methyl-2-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]pentanoic acid
CID 119363512
3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-N-(1-phenylethyl)propanamide
CID 42930155
N-(6-methylheptan-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 24677488
N-[1-(3-bromophenyl)ethyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 43873920

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of N-(1-phenylethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide (CID 17468734) is N-(1-phenylethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-(1-phenylethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-(1-phenylethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide is CC(NC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is XTPIZUKJOQJMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-17(19-7-3-2-4-8-19)22-21(24)14-11-18-9-12-20(13-10-18)27(25,26)23-15-5-6-16-23/h2-4,7-10,12-13,17H,5-6,11,14-16H2,1H3,(H,22,24).
What are the key properties of N-(1-phenylethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
N-(1-phenylethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 386.52 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 17468734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).