CID 154665197

C23H29F2N2O3S+ — CID 154665197

IUPAC—
SMILESCC[S+](=O)(O)N[C@@H]1[C@H](Cc2cccc(-c3ccccc3)c2)N(C(=O)C(C)C)CC1(F)F
InChIInChI=1S/C23H28F2N2O3S/c1-4-31(29,30)26-21-20(27(15-23(21,24)25)22(28)16(2)3)14-17-9-8-12-19(13-17)18-10-6-5-7-11-18/h5-13,16,20-21H,4,14-15H2,1-3H3,(H-,26,29,30)/p+1/t20-,21+/m0/s1
InChIKeyUGHVHLCRQQFQTB-LEWJYISDSA-O
MW451.56 g/mol
LogP4.26
Rot. Bonds7

About CID 154665197

CID 154665197 (PubChem CID 154665197) has the molecular formula C23H29F2N2O3S+ and a molecular weight of 451.56 g/mol.

Molecular Properties

Compound NameCID 154665197
PubChem CID154665197
Molecular FormulaC23H29F2N2O3S+
Molecular Weight451.56 g/mol
Exact Mass451.19
IUPAC Name—
SMILESCC[S+](=O)(O)N[C@@H]1[C@H](Cc2cccc(-c3ccccc3)c2)N(C(=O)C(C)C)CC1(F)F
InChIInChI=1S/C23H28F2N2O3S/c1-4-31(29,30)26-21-20(27(15-23(21,24)25)22(28)16(2)3)14-17-9-8-12-19(13-17)18-10-6-5-7-11-18/h5-13,16,20-21H,4,14-15H2,1-3H3,(H-,26,29,30)/p+1/t20-,21+/m0/s1
InChIKeyUGHVHLCRQQFQTB-LEWJYISDSA-O
XLogP4.26
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.56
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

Analyze CID 154665197 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 154665390
CID 154665390
N-[6-(2-methylpropanoyl)-7-[(3-phenylphenyl)methyl]-6-azaspiro[3.4]octan-8-yl]methanesulfonamide
CID 169036793
N-[5-(2-fluoropropanoyl)-6-[(3-phenylphenyl)methyl]-5-azaspiro[2.4]heptan-7-yl]methanesulfonamide
CID 169036794
N-[(2S,3R)-4,4-difluoro-1-(oxetane-2-carbonyl)-2-[(3-phenylphenyl)methyl]pyrrolidin-3-yl]ethanesulfonamide
CID 154617542
1-[4,4-difluoro-3-(fluoromethylsulfanylamino)-2-[[3-(2-hydroxyphenyl)phenyl]methyl]pyrrolidin-1-yl]propan-1-one
CID 169174003
N-[(2S,3R)-2-[[3-[3-(difluoromethyl)phenyl]-2-fluorophenyl]methyl]-4,4-difluoro-1-(2-methylpropanoyl)pyrrolidin-3-yl]ethanesulfonamide
CID 154617317
N-[1-(2-methylbutanoyl)-2-[(3-phenylphenyl)methyl]pyrrolidin-3-yl]methanesulfonamide
CID 137461609
N-[(2S,3S)-2-[[3-(3-fluorophenyl)phenyl]methyl]-1-(2-methylpropanoyl)pyrrolidin-3-yl]methanesulfonamide
CID 137461267
[1-(1-fluorocyclopropanecarbonyl)-2-[(3-phenylphenyl)methyl]piperidin-3-yl]azanium
CID 142524746
N-[(2S,3R)-2-[[3-(3,5-difluorophenyl)phenyl]methyl]-4,4-difluoro-1-[(2R)-oxolane-2-carbonyl]pyrrolidin-3-yl]ethanesulfonamide
CID 154617125
N-[(2R,3R)-2-[[3-(3,5-difluorophenyl)phenyl]methyl]-1-(2-methylpropanoyl)pyrrolidin-3-yl]methanesulfonamide
CID 137461386
butyl 6-[(3-phenylphenyl)methyl]-7-[(2,2,2-trifluoroacetyl)amino]-5-azaspiro[2.4]heptane-5-carboxylate
CID 175932995

Frequently Asked Questions

What is the IUPAC name of CID 154665197?
The IUPAC name of CID 154665197 (CID 154665197) is not available.
What is the SMILES notation for CID 154665197?
The canonical SMILES for CID 154665197 is CC[S+](=O)(O)N[C@@H]1[C@H](Cc2cccc(-c3ccccc3)c2)N(C(=O)C(C)C)CC1(F)F.
What is the InChIKey of CID 154665197?
The InChIKey is UGHVHLCRQQFQTB-LEWJYISDSA-O. The full InChI is InChI=1S/C23H28F2N2O3S/c1-4-31(29,30)26-21-20(27(15-23(21,24)25)22(28)16(2)3)14-17-9-8-12-19(13-17)18-10-6-5-7-11-18/h5-13,16,20-21H,4,14-15H2,1-3H3,(H-,26,29,30)/p+1/t20-,21+/m0/s1.
What are the key properties of CID 154665197?
CID 154665197 has a molecular weight of 451.56 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154665197 is sourced from PubChem (CID 154665197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).