N-(3-cyclopentylsulfonylphenyl)-3-(4-ethylphenyl)propanamide

C22H27NO3S — CID 55612776

IUPACN-(3-cyclopentylsulfonylphenyl)-3-(4-ethylphenyl)propanamide
SMILESCCc1ccc(CCC(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)cc1
InChIInChI=1S/C22H27NO3S/c1-2-17-10-12-18(13-11-17)14-15-22(24)23-19-6-5-9-21(16-19)27(25,26)20-7-3-4-8-20/h5-6,9-13,16,20H,2-4,7-8,14-15H2,1H3,(H,23,24)
InChIKeyVIUGJYZVWMRVRS-UHFFFAOYSA-N
MW385.53 g/mol
LogP4.54
Rot. Bonds7

About N-(3-cyclopentylsulfonylphenyl)-3-(4-ethylphenyl)propanamide

N-(3-cyclopentylsulfonylphenyl)-3-(4-ethylphenyl)propanamide (PubChem CID 55612776) has the molecular formula C22H27NO3S and a molecular weight of 385.53 g/mol. Its IUPAC name is N-(3-cyclopentylsulfonylphenyl)-3-(4-ethylphenyl)propanamide.

Molecular Properties

Compound NameN-(3-cyclopentylsulfonylphenyl)-3-(4-ethylphenyl)propanamide
PubChem CID55612776
Molecular FormulaC22H27NO3S
Molecular Weight385.53 g/mol
Exact Mass385.17
IUPAC NameN-(3-cyclopentylsulfonylphenyl)-3-(4-ethylphenyl)propanamide
SMILESCCc1ccc(CCC(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)cc1
InChIInChI=1S/C22H27NO3S/c1-2-17-10-12-18(13-11-17)14-15-22(24)23-19-6-5-9-21(16-19)27(25,26)20-7-3-4-8-20/h5-6,9-13,16,20H,2-4,7-8,14-15H2,1H3,(H,23,24)
InChIKeyVIUGJYZVWMRVRS-UHFFFAOYSA-N
XLogP4.54
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethylphenyl)-N-(3-sulfamoylphenyl)propanamide
CID 9403583
2-(4-bromophenyl)-N-(3-cyclopentylsulfonylphenyl)acetamide
CID 39209795
N-(3-cyclopentylsulfonylphenyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55853359
N-(3-cyclopentylsulfonylphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 46410338
3-[(2-chlorophenyl)sulfonylamino]-N-(3-cyclopentylsulfonylphenyl)propanamide
CID 55636261
N-(4-cyclopentylsulfonylphenyl)butanamide
CID 110778666
N-(3-cyclopentylsulfonylphenyl)-2-ethyl-1,3-oxazole-4-carboxamide
CID 86815081
3-acetamido-N-(3-cyclopentylsulfonylphenyl)-3-phenylpropanamide
CID 55612715
N-[3-(butylsulfamoyl)phenyl]-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide
CID 30829010
3-(4-chlorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 24554825
3-(4-fluorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 30684734
2-(1-adamantyl)-N-[2-(3-cyclopentylsulfonylanilino)-2-oxoethyl]acetamide
CID 55636206

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentylsulfonylphenyl)-3-(4-ethylphenyl)propanamide?
The IUPAC name of N-(3-cyclopentylsulfonylphenyl)-3-(4-ethylphenyl)propanamide (CID 55612776) is N-(3-cyclopentylsulfonylphenyl)-3-(4-ethylphenyl)propanamide.
What is the SMILES notation for N-(3-cyclopentylsulfonylphenyl)-3-(4-ethylphenyl)propanamide?
The canonical SMILES for N-(3-cyclopentylsulfonylphenyl)-3-(4-ethylphenyl)propanamide is CCc1ccc(CCC(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)cc1.
What is the InChIKey of N-(3-cyclopentylsulfonylphenyl)-3-(4-ethylphenyl)propanamide?
The InChIKey is VIUGJYZVWMRVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3S/c1-2-17-10-12-18(13-11-17)14-15-22(24)23-19-6-5-9-21(16-19)27(25,26)20-7-3-4-8-20/h5-6,9-13,16,20H,2-4,7-8,14-15H2,1H3,(H,23,24).
What are the key properties of N-(3-cyclopentylsulfonylphenyl)-3-(4-ethylphenyl)propanamide?
N-(3-cyclopentylsulfonylphenyl)-3-(4-ethylphenyl)propanamide has a molecular weight of 385.53 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylsulfonylphenyl)-3-(4-ethylphenyl)propanamide is sourced from PubChem (CID 55612776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).