N-(2-cyclohexylsulfanylethyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide

C22H27FN2O3S2 — CID 2969909

IUPACN-(2-cyclohexylsulfanylethyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
SMILESO=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCCSC1CCCCC1
InChIInChI=1S/C22H27FN2O3S2/c23-18-11-13-21(14-12-18)30(27,28)25(19-7-3-1-4-8-19)17-22(26)24-15-16-29-20-9-5-2-6-10-20/h1,3-4,7-8,11-14,20H,2,5-6,9-10,15-17H2,(H,24,26)
InChIKeyDTKYAZNJYRKLRF-UHFFFAOYSA-N
MW450.60 g/mol
LogP4.20
Rot. Bonds9

About N-(2-cyclohexylsulfanylethyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide

N-(2-cyclohexylsulfanylethyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide (PubChem CID 2969909) has the molecular formula C22H27FN2O3S2 and a molecular weight of 450.60 g/mol. Its IUPAC name is N-(2-cyclohexylsulfanylethyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2-cyclohexylsulfanylethyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
PubChem CID2969909
Molecular FormulaC22H27FN2O3S2
Molecular Weight450.60 g/mol
Exact Mass450.14
IUPAC NameN-(2-cyclohexylsulfanylethyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
SMILESO=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCCSC1CCCCC1
InChIInChI=1S/C22H27FN2O3S2/c23-18-11-13-21(14-12-18)30(27,28)25(19-7-3-1-4-8-19)17-22(26)24-15-16-29-20-9-5-2-6-10-20/h1,3-4,7-8,11-14,20H,2,5-6,9-10,15-17H2,(H,24,26)
InChIKeyDTKYAZNJYRKLRF-UHFFFAOYSA-N
XLogP4.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.60
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 1241259
CID 1241259
CID 2202359
CID 2202359
CID 900314
CID 900314
CID 1321236
CID 1321236
CID 2930050
CID 2930050
CID 9439216
CID 9439216
CID 4824613
CID 4824613
CID 647336
CID 647336
CID 649456
CID 649456
CID 650700
CID 650700
CID 653351
CID 653351
CID 1007866
CID 1007866

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylsulfanylethyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide?
The IUPAC name of N-(2-cyclohexylsulfanylethyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide (CID 2969909) is N-(2-cyclohexylsulfanylethyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(2-cyclohexylsulfanylethyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-(2-cyclohexylsulfanylethyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide is O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCCSC1CCCCC1.
What is the InChIKey of N-(2-cyclohexylsulfanylethyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide?
The InChIKey is DTKYAZNJYRKLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O3S2/c23-18-11-13-21(14-12-18)30(27,28)25(19-7-3-1-4-8-19)17-22(26)24-15-16-29-20-9-5-2-6-10-20/h1,3-4,7-8,11-14,20H,2,5-6,9-10,15-17H2,(H,24,26).
What are the key properties of N-(2-cyclohexylsulfanylethyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide?
N-(2-cyclohexylsulfanylethyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide has a molecular weight of 450.60 g/mol, XLogP of 4.20, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylsulfanylethyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 2969909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).