N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-N-(4-methylphenyl)thiomorpholine-4-carboxamide

C22H24F2N4O3S — CID 134584917

IUPACN-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-N-(4-methylphenyl)thiomorpholine-4-carboxamide
SMILESCc1ccc(N(Cc2ccc(C(=O)NNC(=O)C(F)F)cc2)C(=O)N2CCSCC2)cc1
InChIInChI=1S/C22H24F2N4O3S/c1-15-2-8-18(9-3-15)28(22(31)27-10-12-32-13-11-27)14-16-4-6-17(7-5-16)20(29)25-26-21(30)19(23)24/h2-9,19H,10-14H2,1H3,(H,25,29)(H,26,30)
InChIKeyFRNBYCVSOSTCNR-UHFFFAOYSA-N
MW462.52 g/mol
LogP3.20
Rot. Bonds5

About N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-N-(4-methylphenyl)thiomorpholine-4-carboxamide

N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-N-(4-methylphenyl)thiomorpholine-4-carboxamide (PubChem CID 134584917) has the molecular formula C22H24F2N4O3S and a molecular weight of 462.52 g/mol. Its IUPAC name is N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-N-(4-methylphenyl)thiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-N-(4-methylphenyl)thiomorpholine-4-carboxamide
PubChem CID134584917
Molecular FormulaC22H24F2N4O3S
Molecular Weight462.52 g/mol
Exact Mass462.15
IUPAC NameN-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-N-(4-methylphenyl)thiomorpholine-4-carboxamide
SMILESCc1ccc(N(Cc2ccc(C(=O)NNC(=O)C(F)F)cc2)C(=O)N2CCSCC2)cc1
InChIInChI=1S/C22H24F2N4O3S/c1-15-2-8-18(9-3-15)28(22(31)27-10-12-32-13-11-27)14-16-4-6-17(7-5-16)20(29)25-26-21(30)19(23)24/h2-9,19H,10-14H2,1H3,(H,25,29)(H,26,30)
InChIKeyFRNBYCVSOSTCNR-UHFFFAOYSA-N
XLogP3.20
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.52
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-N-(4-methylphenyl)thiomorpholine-4-carboxamide 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

N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-N-[2-(trifluoromethyl)phenyl]thiomorpholine-4-carboxamide
CID 134584556
N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-N-phenylmorpholine-4-carboxamide
CID 140894353
N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]-2-fluorophenyl]methyl]-N-phenylthiomorpholine-4-carboxamide
CID 151893523
N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-1,1-dioxo-N-(4-pyridin-3-ylphenyl)-1,4-thiazinane-4-carboxamide
CID 140894376
N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]-2-fluorophenyl]methyl]-N-(1-propan-2-ylindazol-6-yl)thiomorpholine-4-carboxamide
CID 134584424
N-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-(4-pyridin-3-ylphenyl)thiomorpholine-4-carboxamide
CID 163641418
N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]phenyl]methyl]-4-ethyl-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 157495310
N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]-2-fluorophenyl]methyl]-1,1-dioxo-N-(4-pyridin-4-ylphenyl)-1,4-thiazinane-4-carboxamide
CID 140894530
N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-N-phenylpyridine-4-carboxamide
CID 134568607
methyl 4-[(4-methyl-N-(4-pyridin-4-ylpiperazine-1-carbonyl)anilino)methyl]benzoate
CID 118968713
N-[4-(furan-3-yl)phenyl]-1,1-dioxo-N-[[4-[[(2,2,2-trifluoroacetyl)amino]carbamoyl]phenyl]methyl]-1,4-thiazinane-4-carboxamide
CID 140895041
N-[[5-[[(2,2-difluoroacetyl)amino]carbamoyl]-2-pyridinyl]methyl]-N-(2-fluoro-4-methylphenyl)morpholine-4-carboxamide
CID 134584599

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-N-(4-methylphenyl)thiomorpholine-4-carboxamide?
The IUPAC name of N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-N-(4-methylphenyl)thiomorpholine-4-carboxamide (CID 134584917) is N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-N-(4-methylphenyl)thiomorpholine-4-carboxamide.
What is the SMILES notation for N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-N-(4-methylphenyl)thiomorpholine-4-carboxamide?
The canonical SMILES for N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-N-(4-methylphenyl)thiomorpholine-4-carboxamide is Cc1ccc(N(Cc2ccc(C(=O)NNC(=O)C(F)F)cc2)C(=O)N2CCSCC2)cc1.
What is the InChIKey of N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-N-(4-methylphenyl)thiomorpholine-4-carboxamide?
The InChIKey is FRNBYCVSOSTCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4O3S/c1-15-2-8-18(9-3-15)28(22(31)27-10-12-32-13-11-27)14-16-4-6-17(7-5-16)20(29)25-26-21(30)19(23)24/h2-9,19H,10-14H2,1H3,(H,25,29)(H,26,30).
What are the key properties of N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-N-(4-methylphenyl)thiomorpholine-4-carboxamide?
N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-N-(4-methylphenyl)thiomorpholine-4-carboxamide has a molecular weight of 462.52 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-N-(4-methylphenyl)thiomorpholine-4-carboxamide is sourced from PubChem (CID 134584917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).