N-cyclohexyl-2-[(2-fluorophenyl)methyl-(3-phenylsulfanylpropanoyl)amino]propanamide

C25H31FN2O2S — CID 133174656

IUPACN-cyclohexyl-2-[(2-fluorophenyl)methyl-(3-phenylsulfanylpropanoyl)amino]propanamide
SMILESCC(C(=O)NC1CCCCC1)N(Cc1ccccc1F)C(=O)CCSc1ccccc1
InChIInChI=1S/C25H31FN2O2S/c1-19(25(30)27-21-11-4-2-5-12-21)28(18-20-10-8-9-15-23(20)26)24(29)16-17-31-22-13-6-3-7-14-22/h3,6-10,13-15,19,21H,2,4-5,11-12,16-18H2,1H3,(H,27,30)
InChIKeyWIODSUGQWAUKIW-UHFFFAOYSA-N
MW442.60 g/mol
LogP5.17
Rot. Bonds9

About N-cyclohexyl-2-[(2-fluorophenyl)methyl-(3-phenylsulfanylpropanoyl)amino]propanamide

N-cyclohexyl-2-[(2-fluorophenyl)methyl-(3-phenylsulfanylpropanoyl)amino]propanamide (PubChem CID 133174656) has the molecular formula C25H31FN2O2S and a molecular weight of 442.60 g/mol. Its IUPAC name is N-cyclohexyl-2-[(2-fluorophenyl)methyl-(3-phenylsulfanylpropanoyl)amino]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(2-fluorophenyl)methyl-(3-phenylsulfanylpropanoyl)amino]propanamide
PubChem CID133174656
Molecular FormulaC25H31FN2O2S
Molecular Weight442.60 g/mol
Exact Mass442.21
IUPAC NameN-cyclohexyl-2-[(2-fluorophenyl)methyl-(3-phenylsulfanylpropanoyl)amino]propanamide
SMILESCC(C(=O)NC1CCCCC1)N(Cc1ccccc1F)C(=O)CCSc1ccccc1
InChIInChI=1S/C25H31FN2O2S/c1-19(25(30)27-21-11-4-2-5-12-21)28(18-20-10-8-9-15-23(20)26)24(29)16-17-31-22-13-6-3-7-14-22/h3,6-10,13-15,19,21H,2,4-5,11-12,16-18H2,1H3,(H,27,30)
InChIKeyWIODSUGQWAUKIW-UHFFFAOYSA-N
XLogP5.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.60
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclohexyl-2-[(2-fluorophenyl)methyl-(3-phenylsulfanylpropanoyl)amino]propanamide 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

4-(4-chlorophenyl)sulfanyl-N-[1-(cyclopentylamino)-1-oxopropan-2-yl]-N-[(2-fluorophenyl)methyl]butanamide
CID 133198777
N-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-[(2-fluorophenyl)methyl]-3,3-diphenylpropanamide
CID 100558309
(2R)-N-cyclohexyl-2-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]propanamide
CID 100554204
(2S)-N-cyclohexyl-2-[[2-(2-fluorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide
CID 100559703
(2R)-2-[(4-bromophenyl)methyl-(3-phenylsulfanylpropanoyl)amino]-N-cyclohexylpropanamide
CID 100565947
N-[1-(cyclopentylamino)-1-oxopropan-2-yl]-N-[(2-fluorophenyl)methyl]-4-phenoxybutanamide
CID 133198697
N-cyclopentyl-2-[(2-fluorophenyl)methyl-propanoylamino]propanamide
CID 133198788
(2S)-N-butyl-2-[(2-fluorophenyl)methyl-(3-phenylsulfanylpropanoyl)amino]propanamide
CID 100558343
(2S)-2-[(3-chlorophenyl)methyl-(3-phenylsulfanylpropanoyl)amino]-N-cyclohexylpropanamide
CID 100548853
(2S)-2-[[2-(4-chlorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 100557416
2-[(4-chlorophenyl)methyl-[3-(4-chlorophenyl)sulfanylpropanoyl]amino]-N-cyclohexylpropanamide
CID 132618490
N-cyclopentyl-2-[(2-fluorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide
CID 133198748

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(2-fluorophenyl)methyl-(3-phenylsulfanylpropanoyl)amino]propanamide?
The IUPAC name of N-cyclohexyl-2-[(2-fluorophenyl)methyl-(3-phenylsulfanylpropanoyl)amino]propanamide (CID 133174656) is N-cyclohexyl-2-[(2-fluorophenyl)methyl-(3-phenylsulfanylpropanoyl)amino]propanamide.
What is the SMILES notation for N-cyclohexyl-2-[(2-fluorophenyl)methyl-(3-phenylsulfanylpropanoyl)amino]propanamide?
The canonical SMILES for N-cyclohexyl-2-[(2-fluorophenyl)methyl-(3-phenylsulfanylpropanoyl)amino]propanamide is CC(C(=O)NC1CCCCC1)N(Cc1ccccc1F)C(=O)CCSc1ccccc1.
What is the InChIKey of N-cyclohexyl-2-[(2-fluorophenyl)methyl-(3-phenylsulfanylpropanoyl)amino]propanamide?
The InChIKey is WIODSUGQWAUKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN2O2S/c1-19(25(30)27-21-11-4-2-5-12-21)28(18-20-10-8-9-15-23(20)26)24(29)16-17-31-22-13-6-3-7-14-22/h3,6-10,13-15,19,21H,2,4-5,11-12,16-18H2,1H3,(H,27,30).
What are the key properties of N-cyclohexyl-2-[(2-fluorophenyl)methyl-(3-phenylsulfanylpropanoyl)amino]propanamide?
N-cyclohexyl-2-[(2-fluorophenyl)methyl-(3-phenylsulfanylpropanoyl)amino]propanamide has a molecular weight of 442.60 g/mol, XLogP of 5.17, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(2-fluorophenyl)methyl-(3-phenylsulfanylpropanoyl)amino]propanamide is sourced from PubChem (CID 133174656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).