4-[[3-cyclopentyl-3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]propanoyl]amino]-4-oxobutanoic acid

C19H23F3N2O7S — CID 174517523

IUPAC4-[[3-cyclopentyl-3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]propanoyl]amino]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)NC(=O)CC(NS(=O)(=O)c1cccc(OC(F)(F)F)c1)C1CCCC1
InChIInChI=1S/C19H23F3N2O7S/c20-19(21,22)31-13-6-3-7-14(10-13)32(29,30)24-15(12-4-1-2-5-12)11-17(26)23-16(25)8-9-18(27)28/h3,6-7,10,12,15,24H,1-2,4-5,8-9,11H2,(H,27,28)(H,23,25,26)
InChIKeyJWLYORBYKFUNGH-UHFFFAOYSA-N
MW480.46 g/mol
LogP2.32
Rot. Bonds10

About 4-[[3-cyclopentyl-3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]propanoyl]amino]-4-oxobutanoic acid

4-[[3-cyclopentyl-3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]propanoyl]amino]-4-oxobutanoic acid (PubChem CID 174517523) has the molecular formula C19H23F3N2O7S and a molecular weight of 480.46 g/mol. Its IUPAC name is 4-[[3-cyclopentyl-3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]propanoyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[[3-cyclopentyl-3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]propanoyl]amino]-4-oxobutanoic acid
PubChem CID174517523
Molecular FormulaC19H23F3N2O7S
Molecular Weight480.46 g/mol
Exact Mass480.12
IUPAC Name4-[[3-cyclopentyl-3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]propanoyl]amino]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)NC(=O)CC(NS(=O)(=O)c1cccc(OC(F)(F)F)c1)C1CCCC1
InChIInChI=1S/C19H23F3N2O7S/c20-19(21,22)31-13-6-3-7-14(10-13)32(29,30)24-15(12-4-1-2-5-12)11-17(26)23-16(25)8-9-18(27)28/h3,6-7,10,12,15,24H,1-2,4-5,8-9,11H2,(H,27,28)(H,23,25,26)
InChIKeyJWLYORBYKFUNGH-UHFFFAOYSA-N
XLogP2.32
TPSA138.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.46
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[3-cyclopentyl-3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]propanoyl]amino]-4-oxobutanoic acid with MolForge

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Related Compounds

methyl 2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]propanoate
CID 60726679
tert-butyl (3S)-3-[[(2S)-3-cyclopentyl-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]propanoyl]amino]-4-hydroxybutanoate
CID 58999659
(3S)-3-[3-cyclohexylpropanoyl-[[3-(trifluoromethoxy)phenyl]sulfonylamino]amino]-4-oxobutanoic acid
CID 87783108
N-(1-hydroxypentan-3-yl)-3-(trifluoromethoxy)benzenesulfonamide
CID 115755279
2-methyl-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid
CID 61263224
N-ethyl-3-(trifluoromethoxy)benzenesulfonamide
CID 43243258
2-cyclopropyl-2-[(3-methoxyphenyl)sulfonylamino]acetic acid
CID 81258396
N-cyclopentyl-N-methyl-3-(trifluoromethoxy)benzenesulfonamide
CID 112812725
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(trifluoromethoxy)benzenesulfonamide
CID 119981759
N-piperidin-3-yl-3-(trifluoromethoxy)benzenesulfonamide
CID 63320915
2-methoxy-N-[3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]acetamide
CID 35546488
N-(3-acetylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 31688238

Frequently Asked Questions

What is the IUPAC name of 4-[[3-cyclopentyl-3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]propanoyl]amino]-4-oxobutanoic acid?
The IUPAC name of 4-[[3-cyclopentyl-3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]propanoyl]amino]-4-oxobutanoic acid (CID 174517523) is 4-[[3-cyclopentyl-3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]propanoyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[[3-cyclopentyl-3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]propanoyl]amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[[3-cyclopentyl-3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]propanoyl]amino]-4-oxobutanoic acid is O=C(O)CCC(=O)NC(=O)CC(NS(=O)(=O)c1cccc(OC(F)(F)F)c1)C1CCCC1.
What is the InChIKey of 4-[[3-cyclopentyl-3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]propanoyl]amino]-4-oxobutanoic acid?
The InChIKey is JWLYORBYKFUNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2O7S/c20-19(21,22)31-13-6-3-7-14(10-13)32(29,30)24-15(12-4-1-2-5-12)11-17(26)23-16(25)8-9-18(27)28/h3,6-7,10,12,15,24H,1-2,4-5,8-9,11H2,(H,27,28)(H,23,25,26).
What are the key properties of 4-[[3-cyclopentyl-3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]propanoyl]amino]-4-oxobutanoic acid?
4-[[3-cyclopentyl-3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]propanoyl]amino]-4-oxobutanoic acid has a molecular weight of 480.46 g/mol, XLogP of 2.32, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-cyclopentyl-3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]propanoyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 174517523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).