CID 165405211

C24H28F4N3O2SSi — CID 165405211

IUPAC—
SMILESCN(C)[C@H](CNC(=O)C[C@H](c1ccsc1)C1(C(F)(F)F)CC1)[C@H]([Si])Cc1ccc(C(N)=O)c(F)c1
InChIInChI=1S/C24H28F4N3O2SSi/c1-31(2)19(20(35)10-14-3-4-16(22(29)33)18(25)9-14)12-30-21(32)11-17(15-5-8-34-13-15)23(6-7-23)24(26,27)28/h3-5,8-9,13,17,19-20H,6-7,10-12H2,1-2H3,(H2,29,33)(H,30,32)/t17-,19-,20-/m1/s1
InChIKeyRWDYLRQDZWWVBK-MISYRCLQSA-N
MW526.65 g/mol
LogP4.05
Rot. Bonds11

About CID 165405211

CID 165405211 (PubChem CID 165405211) has the molecular formula C24H28F4N3O2SSi and a molecular weight of 526.65 g/mol.

Molecular Properties

Compound NameCID 165405211
PubChem CID165405211
Molecular FormulaC24H28F4N3O2SSi
Molecular Weight526.65 g/mol
Exact Mass526.16
IUPAC Name—
SMILESCN(C)[C@H](CNC(=O)C[C@H](c1ccsc1)C1(C(F)(F)F)CC1)[C@H]([Si])Cc1ccc(C(N)=O)c(F)c1
InChIInChI=1S/C24H28F4N3O2SSi/c1-31(2)19(20(35)10-14-3-4-16(22(29)33)18(25)9-14)12-30-21(32)11-17(15-5-8-34-13-15)23(6-7-23)24(26,27)28/h3-5,8-9,13,17,19-20H,6-7,10-12H2,1-2H3,(H2,29,33)(H,30,32)/t17-,19-,20-/m1/s1
InChIKeyRWDYLRQDZWWVBK-MISYRCLQSA-N
XLogP4.05
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.65
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(dimethylamino)-3-[[3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide
CID 175526182
4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(furan-3-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide
CID 166025468
4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-thiophen-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide
CID 167539142
4-[(2S)-2-(dimethylamino)-3-[[3-pyrimidin-5-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide
CID 166025323
4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide
CID 166025519
4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(1,3-thiazol-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide
CID 165405456
(3S)-3-thiophen-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
CID 165404920
(3R)-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 167631600
4-[(3S)-4-amino-3-(dimethylamino)-2-methylbutyl]-2-fluorobenzamide
CID 165405492
(3S)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 166025401
3-chloro-4-[(2S)-3-[[3-(5-chloropyrimidin-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide
CID 166025434
N-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyrimidin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 175526140

Frequently Asked Questions

What is the IUPAC name of CID 165405211?
The IUPAC name of CID 165405211 (CID 165405211) is not available.
What is the SMILES notation for CID 165405211?
The canonical SMILES for CID 165405211 is CN(C)[C@H](CNC(=O)C[C@H](c1ccsc1)C1(C(F)(F)F)CC1)[C@H]([Si])Cc1ccc(C(N)=O)c(F)c1.
What is the InChIKey of CID 165405211?
The InChIKey is RWDYLRQDZWWVBK-MISYRCLQSA-N. The full InChI is InChI=1S/C24H28F4N3O2SSi/c1-31(2)19(20(35)10-14-3-4-16(22(29)33)18(25)9-14)12-30-21(32)11-17(15-5-8-34-13-15)23(6-7-23)24(26,27)28/h3-5,8-9,13,17,19-20H,6-7,10-12H2,1-2H3,(H2,29,33)(H,30,32)/t17-,19-,20-/m1/s1.
What are the key properties of CID 165405211?
CID 165405211 has a molecular weight of 526.65 g/mol, XLogP of 4.05, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 165405211 is sourced from PubChem (CID 165405211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).