CID 134802766

C24H28ClN3O3S — CID 134802766

IUPAC—
SMILESCc1ccc(-c2cccc(CN3CCCC(N[S+](=O)([O-])c4c(C)noc4C)C3)c2)cc1Cl
InChIInChI=1S/C24H28ClN3O3S/c1-16-9-10-21(13-23(16)25)20-7-4-6-19(12-20)14-28-11-5-8-22(15-28)27-32(29,30)24-17(2)26-31-18(24)3/h4,6-7,9-10,12-13,22H,5,8,11,14-15H2,1-3H3,(H-,27,29,30)
InChIKeyZCFIYNHCVPCOGC-UHFFFAOYSA-N
MW474.03 g/mol
LogP5.08
Rot. Bonds6

About CID 134802766

CID 134802766 (PubChem CID 134802766) has the molecular formula C24H28ClN3O3S and a molecular weight of 474.03 g/mol.

Molecular Properties

Compound NameCID 134802766
PubChem CID134802766
Molecular FormulaC24H28ClN3O3S
Molecular Weight474.03 g/mol
Exact Mass473.15
IUPAC Name—
SMILESCc1ccc(-c2cccc(CN3CCCC(N[S+](=O)([O-])c4c(C)noc4C)C3)c2)cc1Cl
InChIInChI=1S/C24H28ClN3O3S/c1-16-9-10-21(13-23(16)25)20-7-4-6-19(12-20)14-28-11-5-8-22(15-28)27-32(29,30)24-17(2)26-31-18(24)3/h4,6-7,9-10,12-13,22H,5,8,11,14-15H2,1-3H3,(H-,27,29,30)
InChIKeyZCFIYNHCVPCOGC-UHFFFAOYSA-N
XLogP5.08
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.03
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze CID 134802766 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 134803999
CID 134803999
CID 134798837
CID 134798837
1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-cyclopentylpyrrolidine-2-carboxamide
CID 134799361
N-methyl-1-[(3-nitrophenyl)methyl]piperidin-3-amine;hydrochloride
CID 119918159
1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 134799026
N-cyclohexyl-1-[(3-methylphenyl)methyl]piperidin-3-amine
CID 83999105
N-methyl-1-[(4-phenylphenyl)methyl]piperidin-3-amine
CID 62535196
N-cyclohexyl-3-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 124999270
1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 134798064
7-[1-[[3-(4-chlorophenyl)phenyl]methyl]piperidin-3-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 118471119
N-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
CID 131901421
2-[1-[(3-chloro-4-methylphenyl)methyl]piperidin-3-yl]-2-methylpropanoic acid
CID 106819036

Frequently Asked Questions

What is the IUPAC name of CID 134802766?
The IUPAC name of CID 134802766 (CID 134802766) is not available.
What is the SMILES notation for CID 134802766?
The canonical SMILES for CID 134802766 is Cc1ccc(-c2cccc(CN3CCCC(N[S+](=O)([O-])c4c(C)noc4C)C3)c2)cc1Cl.
What is the InChIKey of CID 134802766?
The InChIKey is ZCFIYNHCVPCOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O3S/c1-16-9-10-21(13-23(16)25)20-7-4-6-19(12-20)14-28-11-5-8-22(15-28)27-32(29,30)24-17(2)26-31-18(24)3/h4,6-7,9-10,12-13,22H,5,8,11,14-15H2,1-3H3,(H-,27,29,30).
What are the key properties of CID 134802766?
CID 134802766 has a molecular weight of 474.03 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134802766 is sourced from PubChem (CID 134802766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).