CID 58714494

C25H30FN4O4S — CID 58714494

IUPAC—
SMILESCC(C)CC[CH]c1nc(-c2ccc(S(=O)(=O)Nc3ccc(NC(=O)C(C)(C)CF)cc3)cc2)no1
InChIInChI=1S/C25H30FN4O4S/c1-17(2)6-5-7-22-28-23(29-34-22)18-8-14-21(15-9-18)35(32,33)30-20-12-10-19(11-13-20)27-24(31)25(3,4)16-26/h7-15,17,30H,5-6,16H2,1-4H3,(H,27,31)
InChIKeySHQCJAYIYPTSTE-UHFFFAOYSA-N
MW501.60 g/mol
LogP5.46
Rot. Bonds11

About CID 58714494

CID 58714494 (PubChem CID 58714494) has the molecular formula C25H30FN4O4S and a molecular weight of 501.60 g/mol.

Molecular Properties

Compound NameCID 58714494
PubChem CID58714494
Molecular FormulaC25H30FN4O4S
Molecular Weight501.60 g/mol
Exact Mass501.20
IUPAC Name—
SMILESCC(C)CC[CH]c1nc(-c2ccc(S(=O)(=O)Nc3ccc(NC(=O)C(C)(C)CF)cc3)cc2)no1
InChIInChI=1S/C25H30FN4O4S/c1-17(2)6-5-7-22-28-23(29-34-22)18-8-14-21(15-9-18)35(32,33)30-20-12-10-19(11-13-20)27-24(31)25(3,4)16-26/h7-15,17,30H,5-6,16H2,1-4H3,(H,27,31)
InChIKeySHQCJAYIYPTSTE-UHFFFAOYSA-N
XLogP5.46
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.60
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[4-[5-(2-aminoethyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-3-fluoro-2,2-dimethylpropanamide
CID 21061433
N-[3-[[4-[5-[(1S)-1,5-diaminopentyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-3-fluoro-2,2-dimethylpropanamide
CID 58714475
N-[3-[[4-[5-[2-(3-aminopropylamino)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-3-fluoro-2,2-dimethylpropanamide
CID 21061388
3-fluoro-2-(fluoromethyl)-2-methyl-N-[3-[[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]phenyl]propanamide
CID 21060725
3-hydroxy-2,2-dimethyl-N-[3-[[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]phenyl]propanamide
CID 21060727
N-[4-[3-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 50822916
N-[3-[[3-[5-(1-aminopentyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-3-fluoro-2,2-dimethylpropanamide
CID 21061357
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 17354607
3-fluoro-N-[4-[(6-formylnaphthalen-1-yl)sulfonylamino]phenyl]-2,2-dimethylpropanamide
CID 11396239
4-[[4-(3-methylbutanoylamino)phenyl]sulfamoyl]benzoic acid
CID 55542289
N-[4-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]phenyl]acetamide
CID 17101470
N-[(1S)-1-[3-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 92728786

Frequently Asked Questions

What is the IUPAC name of CID 58714494?
The IUPAC name of CID 58714494 (CID 58714494) is not available.
What is the SMILES notation for CID 58714494?
The canonical SMILES for CID 58714494 is CC(C)CC[CH]c1nc(-c2ccc(S(=O)(=O)Nc3ccc(NC(=O)C(C)(C)CF)cc3)cc2)no1.
What is the InChIKey of CID 58714494?
The InChIKey is SHQCJAYIYPTSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN4O4S/c1-17(2)6-5-7-22-28-23(29-34-22)18-8-14-21(15-9-18)35(32,33)30-20-12-10-19(11-13-20)27-24(31)25(3,4)16-26/h7-15,17,30H,5-6,16H2,1-4H3,(H,27,31).
What are the key properties of CID 58714494?
CID 58714494 has a molecular weight of 501.60 g/mol, XLogP of 5.46, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58714494 is sourced from PubChem (CID 58714494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).