4-[(2-cyclohexyl-2-phenylethyl)sulfonylamino]-2-naphthalen-1-yloxybutanoic acid

C28H33NO5S — CID 67637604

IUPAC4-[(2-cyclohexyl-2-phenylethyl)sulfonylamino]-2-naphthalen-1-yloxybutanoic acid
SMILESO=C(O)C(CCNS(=O)(=O)CC(c1ccccc1)C1CCCCC1)Oc1cccc2ccccc12
InChIInChI=1S/C28H33NO5S/c30-28(31)27(34-26-17-9-15-21-14-7-8-16-24(21)26)18-19-29-35(32,33)20-25(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1,3-4,7-11,14-17,23,25,27,29H,2,5-6,12-13,18-20H2,(H,30,31)
InChIKeyOHYKNMNASHYWRN-UHFFFAOYSA-N
MW495.64 g/mol
LogP5.35
Rot. Bonds11

About 4-[(2-cyclohexyl-2-phenylethyl)sulfonylamino]-2-naphthalen-1-yloxybutanoic acid

4-[(2-cyclohexyl-2-phenylethyl)sulfonylamino]-2-naphthalen-1-yloxybutanoic acid (PubChem CID 67637604) has the molecular formula C28H33NO5S and a molecular weight of 495.64 g/mol. Its IUPAC name is 4-[(2-cyclohexyl-2-phenylethyl)sulfonylamino]-2-naphthalen-1-yloxybutanoic acid.

Molecular Properties

Compound Name4-[(2-cyclohexyl-2-phenylethyl)sulfonylamino]-2-naphthalen-1-yloxybutanoic acid
PubChem CID67637604
Molecular FormulaC28H33NO5S
Molecular Weight495.64 g/mol
Exact Mass495.21
IUPAC Name4-[(2-cyclohexyl-2-phenylethyl)sulfonylamino]-2-naphthalen-1-yloxybutanoic acid
SMILESO=C(O)C(CCNS(=O)(=O)CC(c1ccccc1)C1CCCCC1)Oc1cccc2ccccc12
InChIInChI=1S/C28H33NO5S/c30-28(31)27(34-26-17-9-15-21-14-7-8-16-24(21)26)18-19-29-35(32,33)20-25(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1,3-4,7-11,14-17,23,25,27,29H,2,5-6,12-13,18-20H2,(H,30,31)
InChIKeyOHYKNMNASHYWRN-UHFFFAOYSA-N
XLogP5.35
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.64
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-naphthalen-1-yloxy-4-(2-phenylpropylsulfonylamino)butanoic acid
CID 67637593
4-(2,2-diphenylethenylsulfonylamino)-2-naphthalen-1-yloxybutanoic acid
CID 67638166
(2S)-N-cycloheptyl-2-naphthalen-1-yloxybutanamide
CID 30386318
(2R)-2-naphthalen-1-yloxy-3-phenylpropanoic acid
CID 100524327
3-cyclopentyl-3-phenylpropan-1-ol
CID 57047034
ethyl (3S)-3-cyclohexyl-3-phenylpropanoate
CID 125468052
N-benzhydryl-2-naphthalen-1-yloxybutanamide
CID 46763227
(2S)-2-naphthalen-1-yloxy-2-phenyl-1-piperidin-1-ylethanone
CID 7697331
(2S)-3-(2-ethoxyphenyl)-2-naphthalen-1-yloxypropanoic acid
CID 100543843
cyclohexyl 2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]-2-phenylacetate
CID 87147629
1-(cyclopentylamino)-1-naphthalen-1-yloxypropan-2-ol
CID 67826835
N-(3-amino-3-phenylpropyl)-1-cyclohexylmethanesulfonamide
CID 80505534

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclohexyl-2-phenylethyl)sulfonylamino]-2-naphthalen-1-yloxybutanoic acid?
The IUPAC name of 4-[(2-cyclohexyl-2-phenylethyl)sulfonylamino]-2-naphthalen-1-yloxybutanoic acid (CID 67637604) is 4-[(2-cyclohexyl-2-phenylethyl)sulfonylamino]-2-naphthalen-1-yloxybutanoic acid.
What is the SMILES notation for 4-[(2-cyclohexyl-2-phenylethyl)sulfonylamino]-2-naphthalen-1-yloxybutanoic acid?
The canonical SMILES for 4-[(2-cyclohexyl-2-phenylethyl)sulfonylamino]-2-naphthalen-1-yloxybutanoic acid is O=C(O)C(CCNS(=O)(=O)CC(c1ccccc1)C1CCCCC1)Oc1cccc2ccccc12.
What is the InChIKey of 4-[(2-cyclohexyl-2-phenylethyl)sulfonylamino]-2-naphthalen-1-yloxybutanoic acid?
The InChIKey is OHYKNMNASHYWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO5S/c30-28(31)27(34-26-17-9-15-21-14-7-8-16-24(21)26)18-19-29-35(32,33)20-25(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1,3-4,7-11,14-17,23,25,27,29H,2,5-6,12-13,18-20H2,(H,30,31).
What are the key properties of 4-[(2-cyclohexyl-2-phenylethyl)sulfonylamino]-2-naphthalen-1-yloxybutanoic acid?
4-[(2-cyclohexyl-2-phenylethyl)sulfonylamino]-2-naphthalen-1-yloxybutanoic acid has a molecular weight of 495.64 g/mol, XLogP of 5.35, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclohexyl-2-phenylethyl)sulfonylamino]-2-naphthalen-1-yloxybutanoic acid is sourced from PubChem (CID 67637604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).