CID 156845165

C16H22BFN2O3S — CID 156845165

IUPAC—
SMILES[B]c1cc(F)c(C(=O)NC2CCN(C(=O)OC(C)(C)C)C(C)C2)s1
InChIInChI=1S/C16H22BFN2O3S/c1-9-7-10(5-6-20(9)15(22)23-16(2,3)4)19-14(21)13-11(18)8-12(17)24-13/h8-10H,5-7H2,1-4H3,(H,19,21)
InChIKeyRDIQWOGFLXZILX-UHFFFAOYSA-N
MW352.24 g/mol
LogP2.20
Rot. Bonds2

About CID 156845165

CID 156845165 (PubChem CID 156845165) has the molecular formula C16H22BFN2O3S and a molecular weight of 352.24 g/mol.

Molecular Properties

Compound NameCID 156845165
PubChem CID156845165
Molecular FormulaC16H22BFN2O3S
Molecular Weight352.24 g/mol
Exact Mass352.14
IUPAC Name—
SMILES[B]c1cc(F)c(C(=O)NC2CCN(C(=O)OC(C)(C)C)C(C)C2)s1
InChIInChI=1S/C16H22BFN2O3S/c1-9-7-10(5-6-20(9)15(22)23-16(2,3)4)19-14(21)13-11(18)8-12(17)24-13/h8-10H,5-7H2,1-4H3,(H,19,21)
InChIKeyRDIQWOGFLXZILX-UHFFFAOYSA-N
XLogP2.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.24
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze CID 156845165 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

tert-butyl 4-{[(2-thienylcarbonyl)amino]methyl}tetrahydro-1(2H)-pyridinecarboxylate
CID 2810469
ethyl 4-[(2-thienylcarbonyl)amino]tetrahydro-1(2H)-pyridinecarboxylate
CID 2815503
4-{2-[(Thiophene-2-carbonyl)-amino]-ethylamino}-piperidine-1-carboxylic acid ethyl ester
CID 647412
Tert-butyl 4-[thiophene-2-carbonyl(trifluoromethyl)amino]piperidine-1-carboxylate
CID 162616166
Tert-butyl 3-(5-fluorothiophen-2-yl)piperazine-1-carboxylate
CID 118013200
Tert-butyl 4-[2-[(5-fluorothiophene-2-carbonyl)amino]-4-methylpentyl]piperidine-1-carboxylate
CID 137373119
Tert-butyl 4-[2-cyclopentyl-2-[(5-fluorothiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylate
CID 137373161
Tert-butyl 4-[2-[(5-fluorothiophene-2-carbonyl)amino]-2-phenylethyl]piperidine-1-carboxylate
CID 137373164
Tert-butyl 4-[2-cyclohexyl-2-[(5-fluorothiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylate
CID 137373247
tert-butyl N-[2-[[5-(trifluoromethyl)thiophene-2-carbonyl]amino]ethyl]carbamate
CID 141301957
Tert-butyl 4-[(5-bromo-3-fluorothiophene-2-carbonyl)amino]-2-methylpiperidine-1-carboxylate
CID 156845140
3-fluoro-N-(1-methylpiperidin-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxamide
CID 156845193

Frequently Asked Questions

What is the IUPAC name of CID 156845165?
The IUPAC name of CID 156845165 (CID 156845165) is not available.
What is the SMILES notation for CID 156845165?
The canonical SMILES for CID 156845165 is [B]c1cc(F)c(C(=O)NC2CCN(C(=O)OC(C)(C)C)C(C)C2)s1.
What is the InChIKey of CID 156845165?
The InChIKey is RDIQWOGFLXZILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BFN2O3S/c1-9-7-10(5-6-20(9)15(22)23-16(2,3)4)19-14(21)13-11(18)8-12(17)24-13/h8-10H,5-7H2,1-4H3,(H,19,21).
What are the key properties of CID 156845165?
CID 156845165 has a molecular weight of 352.24 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156845165 is sourced from PubChem (CID 156845165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).