N-(4-aminocyclohexyl)-2-phenyl-2-phenylsulfanylacetamide

C20H24N2OS — CID 119474355

IUPACN-(4-aminocyclohexyl)-2-phenyl-2-phenylsulfanylacetamide
SMILESNC1CCC(NC(=O)C(Sc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C20H24N2OS/c21-16-11-13-17(14-12-16)22-20(23)19(15-7-3-1-4-8-15)24-18-9-5-2-6-10-18/h1-10,16-17,19H,11-14,21H2,(H,22,23)
InChIKeyWOXZTGMKSZBPFV-UHFFFAOYSA-N
MW340.49 g/mol
LogP3.91
Rot. Bonds5

About N-(4-aminocyclohexyl)-2-phenyl-2-phenylsulfanylacetamide

N-(4-aminocyclohexyl)-2-phenyl-2-phenylsulfanylacetamide (PubChem CID 119474355) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-phenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-phenyl-2-phenylsulfanylacetamide
PubChem CID119474355
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC NameN-(4-aminocyclohexyl)-2-phenyl-2-phenylsulfanylacetamide
SMILESNC1CCC(NC(=O)C(Sc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C20H24N2OS/c21-16-11-13-17(14-12-16)22-20(23)19(15-7-3-1-4-8-15)24-18-9-5-2-6-10-18/h1-10,16-17,19H,11-14,21H2,(H,22,23)
InChIKeyWOXZTGMKSZBPFV-UHFFFAOYSA-N
XLogP3.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminocyclohexyl)-2-(3-chloro-4-fluorophenyl)sulfanyl-2-phenylacetamide;hydrochloride
CID 119476072
N-(1-methylpiperidin-4-yl)-2-phenyl-2-phenylsulfanylacetamide
CID 78810005
(2S)-2-(4-tert-butylphenyl)sulfanyl-N-cyclopropyl-2-phenylacetamide
CID 9042642
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-phenyl-2-phenylsulfanylacetate
CID 8821241
2-amino-N-(4-aminocyclohexyl)-2-phenylacetamide
CID 62320729
N-(4-aminocyclohexyl)-2-chloro-2-phenylacetamide
CID 62318890
1-(4-aminopiperidin-1-yl)-2-phenyl-2-phenylsulfanylethanone
CID 119372814
N-(4-aminocyclohexyl)-3-methyl-2-phenylbutanamide;hydrochloride
CID 119474856
N-(4-aminocyclohexyl)-2-phenylbutanamide
CID 43653055
(2S)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-cyclopropyl-2-phenylacetamide
CID 9038377
(2S)-N,2-diphenyl-2-phenylsulfanylacetamide
CID 821034
N,2-diphenyl-2-phenylsulfanylacetamide
CID 2885898

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-phenyl-2-phenylsulfanylacetamide?
The IUPAC name of N-(4-aminocyclohexyl)-2-phenyl-2-phenylsulfanylacetamide (CID 119474355) is N-(4-aminocyclohexyl)-2-phenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-phenyl-2-phenylsulfanylacetamide?
The canonical SMILES for N-(4-aminocyclohexyl)-2-phenyl-2-phenylsulfanylacetamide is NC1CCC(NC(=O)C(Sc2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-2-phenyl-2-phenylsulfanylacetamide?
The InChIKey is WOXZTGMKSZBPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2OS/c21-16-11-13-17(14-12-16)22-20(23)19(15-7-3-1-4-8-15)24-18-9-5-2-6-10-18/h1-10,16-17,19H,11-14,21H2,(H,22,23).
What are the key properties of N-(4-aminocyclohexyl)-2-phenyl-2-phenylsulfanylacetamide?
N-(4-aminocyclohexyl)-2-phenyl-2-phenylsulfanylacetamide has a molecular weight of 340.49 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-phenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 119474355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).