N-(2-phenylethyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide

C25H26N2O3S — CID 20973683

IUPACN-(2-phenylethyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(NCCc1ccccc1)c1ccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C25H26N2O3S/c28-25(26-17-16-20-6-2-1-3-7-20)23-10-8-21(9-11-23)22-12-14-24(15-13-22)31(29,30)27-18-4-5-19-27/h1-3,6-15H,4-5,16-19H2,(H,26,28)
InChIKeyWHGIDWMVJJFTKZ-UHFFFAOYSA-N
MW434.56 g/mol
LogP4.11
Rot. Bonds7

About N-(2-phenylethyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide

N-(2-phenylethyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide (PubChem CID 20973683) has the molecular formula C25H26N2O3S and a molecular weight of 434.56 g/mol. Its IUPAC name is N-(2-phenylethyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
PubChem CID20973683
Molecular FormulaC25H26N2O3S
Molecular Weight434.56 g/mol
Exact Mass434.17
IUPAC NameN-(2-phenylethyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(NCCc1ccccc1)c1ccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C25H26N2O3S/c28-25(26-17-16-20-6-2-1-3-7-20)23-10-8-21(9-11-23)22-12-14-24(15-13-22)31(29,30)27-18-4-5-19-27/h1-3,6-15H,4-5,16-19H2,(H,26,28)
InChIKeyWHGIDWMVJJFTKZ-UHFFFAOYSA-N
XLogP4.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]benzamide
CID 108736469
4-methyl-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzamide
CID 30125482
N-[2-(4-chlorophenyl)ethyl]-4-piperidin-1-ylsulfonylbenzamide
CID 4289503
N-(2-phenylethyl)-N'-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide
CID 30126597
4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-phenylethyl)benzamide
CID 109061005
N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]-4-tert-butylbenzamide
CID 108736462
4-(azepan-1-ylsulfonyl)-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 9051929
N-[2-(4-phenylphenyl)ethyl]-4-[4-(prop-2-enoylamino)azepan-1-yl]sulfonylbenzamide
CID 89237765
4-(3-oxopiperazin-1-yl)sulfonyl-N-(2-phenylethyl)benzamide
CID 31883493
N-[2-(4-phenylphenyl)ethyl]-4-[3-(prop-2-enoylamino)azepan-1-yl]sulfonylbenzamide
CID 89238762
2-chloro-N-(2-phenylethyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26534993
N-(2-phenylethyl)-4-[4-(prop-2-enoylamino)azepan-1-yl]sulfonylbenzamide
CID 89236369

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of N-(2-phenylethyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide (CID 20973683) is N-(2-phenylethyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for N-(2-phenylethyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for N-(2-phenylethyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide is O=C(NCCc1ccccc1)c1ccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1.
What is the InChIKey of N-(2-phenylethyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is WHGIDWMVJJFTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3S/c28-25(26-17-16-20-6-2-1-3-7-20)23-10-8-21(9-11-23)22-12-14-24(15-13-22)31(29,30)27-18-4-5-19-27/h1-3,6-15H,4-5,16-19H2,(H,26,28).
What are the key properties of N-(2-phenylethyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
N-(2-phenylethyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 434.56 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 20973683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).