CID 89275031

C21H21BN2O2S — CID 89275031

IUPAC—
SMILES[B]c1cc([C@@H](c2ccccc2)C(C)(C)C(=O)Nc2nccs2)ccc1OC
InChIInChI=1S/C21H21BN2O2S/c1-21(2,19(25)24-20-23-11-12-27-20)18(14-7-5-4-6-8-14)15-9-10-17(26-3)16(22)13-15/h4-13,18H,1-3H3,(H,23,24,25)/t18-/m1/s1
InChIKeyARVMOXSNNWFQSL-GOSISDBHSA-N
MW376.29 g/mol
LogP3.74
Rot. Bonds6

About CID 89275031

CID 89275031 (PubChem CID 89275031) has the molecular formula C21H21BN2O2S and a molecular weight of 376.29 g/mol.

Molecular Properties

Compound NameCID 89275031
PubChem CID89275031
Molecular FormulaC21H21BN2O2S
Molecular Weight376.29 g/mol
Exact Mass376.14
IUPAC Name—
SMILES[B]c1cc([C@@H](c2ccccc2)C(C)(C)C(=O)Nc2nccs2)ccc1OC
InChIInChI=1S/C21H21BN2O2S/c1-21(2,19(25)24-20-23-11-12-27-20)18(14-7-5-4-6-8-14)15-9-10-17(26-3)16(22)13-15/h4-13,18H,1-3H3,(H,23,24,25)/t18-/m1/s1
InChIKeyARVMOXSNNWFQSL-GOSISDBHSA-N
XLogP3.74
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluorophenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
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ethane;3-(4-ethylphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 143671313
3-[6-(4-methoxyphenyl)-3-pyridinyl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 59138553
2,2-dimethyl-3-phenyl-3-(1-pyridin-2-ylindazol-5-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 59252765
3-[1-(4-fluorophenyl)indol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 59252882
3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 24789142
2-(2-methoxyphenyl)-2-methyl-N-(1,3-thiazol-2-yl)propanamide
CID 110439598
3-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 24789150
3-(3-fluorophenyl)-2,2-dimethyl-3-(5-methylthiophen-2-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 89272327
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)-2,2-dimethyl-3-phenylpropanamide
CID 59232831
3-(4-chlorophenyl)-2,2-dimethyl-3-(4-morpholin-4-ylphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 59232573
3-(3-cyano-1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;3-(3-formyl-1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;3-(1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 161470637

Frequently Asked Questions

What is the IUPAC name of CID 89275031?
The IUPAC name of CID 89275031 (CID 89275031) is not available.
What is the SMILES notation for CID 89275031?
The canonical SMILES for CID 89275031 is [B]c1cc([C@@H](c2ccccc2)C(C)(C)C(=O)Nc2nccs2)ccc1OC.
What is the InChIKey of CID 89275031?
The InChIKey is ARVMOXSNNWFQSL-GOSISDBHSA-N. The full InChI is InChI=1S/C21H21BN2O2S/c1-21(2,19(25)24-20-23-11-12-27-20)18(14-7-5-4-6-8-14)15-9-10-17(26-3)16(22)13-15/h4-13,18H,1-3H3,(H,23,24,25)/t18-/m1/s1.
What are the key properties of CID 89275031?
CID 89275031 has a molecular weight of 376.29 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89275031 is sourced from PubChem (CID 89275031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).