4-(cyclopentylsulfonylamino)-4-phenylbutanoic acid

C15H21NO4S — CID 105360745

IUPAC4-(cyclopentylsulfonylamino)-4-phenylbutanoic acid
SMILESO=C(O)CCC(NS(=O)(=O)C1CCCC1)c1ccccc1
InChIInChI=1S/C15H21NO4S/c17-15(18)11-10-14(12-6-2-1-3-7-12)16-21(19,20)13-8-4-5-9-13/h1-3,6-7,13-14,16H,4-5,8-11H2,(H,17,18)
InChIKeyUFCVZEOAANANCV-UHFFFAOYSA-N
MW311.40 g/mol
LogP2.45
Rot. Bonds7

About 4-(cyclopentylsulfonylamino)-4-phenylbutanoic acid

4-(cyclopentylsulfonylamino)-4-phenylbutanoic acid (PubChem CID 105360745) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is 4-(cyclopentylsulfonylamino)-4-phenylbutanoic acid.

Molecular Properties

Compound Name4-(cyclopentylsulfonylamino)-4-phenylbutanoic acid
PubChem CID105360745
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Name4-(cyclopentylsulfonylamino)-4-phenylbutanoic acid
SMILESO=C(O)CCC(NS(=O)(=O)C1CCCC1)c1ccccc1
InChIInChI=1S/C15H21NO4S/c17-15(18)11-10-14(12-6-2-1-3-7-12)16-21(19,20)13-8-4-5-9-13/h1-3,6-7,13-14,16H,4-5,8-11H2,(H,17,18)
InChIKeyUFCVZEOAANANCV-UHFFFAOYSA-N
XLogP2.45
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopropylsulfonylamino)-3-phenylpropanoic acid
CID 64552602
N-[(1S)-2-hydroxy-1-phenylethyl]cyclopropanesulfonamide
CID 103825699
bis[(2S)-2-(cyclohexylsulfonylamino)-2-phenylethyl] (E)-but-2-enedioate
CID 126496956
4-[(3-cyclopropylphenyl)sulfonylamino]-4-phenylbutanoic acid
CID 167970130
4-[[methyl(propan-2-yl)sulfamoyl]amino]-4-phenylbutanoic acid
CID 61455733
(2R)-2-(cyclohexylsulfonylamino)-3-phenylpropanoic acid
CID 104901982
N-(2-bromo-1-phenylethyl)-1,1-dioxothiane-4-sulfonamide
CID 114296825
4-phenyl-4-(1H-pyrrol-3-ylsulfonylamino)butanoic acid
CID 60827707
(3R)-3-(3-bromophenyl)-3-(cyclopropylsulfonylamino)propanoic acid
CID 146134249
4-[3-(cyclopentanecarbonylamino)butanoylamino]-4-phenylbutanoic acid
CID 119201424
4-[3-(oxan-2-yl)propanoylamino]-4-phenylbutanoic acid
CID 119201385
4-phenyl-4-(pyrrolidine-1-carbonylamino)butanoic acid
CID 61186751

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylsulfonylamino)-4-phenylbutanoic acid?
The IUPAC name of 4-(cyclopentylsulfonylamino)-4-phenylbutanoic acid (CID 105360745) is 4-(cyclopentylsulfonylamino)-4-phenylbutanoic acid.
What is the SMILES notation for 4-(cyclopentylsulfonylamino)-4-phenylbutanoic acid?
The canonical SMILES for 4-(cyclopentylsulfonylamino)-4-phenylbutanoic acid is O=C(O)CCC(NS(=O)(=O)C1CCCC1)c1ccccc1.
What is the InChIKey of 4-(cyclopentylsulfonylamino)-4-phenylbutanoic acid?
The InChIKey is UFCVZEOAANANCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c17-15(18)11-10-14(12-6-2-1-3-7-12)16-21(19,20)13-8-4-5-9-13/h1-3,6-7,13-14,16H,4-5,8-11H2,(H,17,18).
What are the key properties of 4-(cyclopentylsulfonylamino)-4-phenylbutanoic acid?
4-(cyclopentylsulfonylamino)-4-phenylbutanoic acid has a molecular weight of 311.40 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylsulfonylamino)-4-phenylbutanoic acid is sourced from PubChem (CID 105360745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).