N-(2-cyclohexylsulfanylethyl)-2-(N-methylsulfonylanilino)acetamide

C17H26N2O3S2 — CID 2930050

IUPACN-(2-cyclohexylsulfanylethyl)-2-(N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCCSC1CCCCC1)c1ccccc1
InChIInChI=1S/C17H26N2O3S2/c1-24(21,22)19(15-8-4-2-5-9-15)14-17(20)18-12-13-23-16-10-6-3-7-11-16/h2,4-5,8-9,16H,3,6-7,10-14H2,1H3,(H,18,20)
InChIKeyBKIHBSGNNZXTRU-UHFFFAOYSA-N
MW370.54 g/mol
LogP2.63
Rot. Bonds8

About N-(2-cyclohexylsulfanylethyl)-2-(N-methylsulfonylanilino)acetamide

N-(2-cyclohexylsulfanylethyl)-2-(N-methylsulfonylanilino)acetamide (PubChem CID 2930050) has the molecular formula C17H26N2O3S2 and a molecular weight of 370.54 g/mol. Its IUPAC name is N-(2-cyclohexylsulfanylethyl)-2-(N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2-cyclohexylsulfanylethyl)-2-(N-methylsulfonylanilino)acetamide
PubChem CID2930050
Molecular FormulaC17H26N2O3S2
Molecular Weight370.54 g/mol
Exact Mass370.14
IUPAC NameN-(2-cyclohexylsulfanylethyl)-2-(N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCCSC1CCCCC1)c1ccccc1
InChIInChI=1S/C17H26N2O3S2/c1-24(21,22)19(15-8-4-2-5-9-15)14-17(20)18-12-13-23-16-10-6-3-7-11-16/h2,4-5,8-9,16H,3,6-7,10-14H2,1H3,(H,18,20)
InChIKeyBKIHBSGNNZXTRU-UHFFFAOYSA-N
XLogP2.63
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 52.63
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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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylsulfanylethyl)-2-(N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(2-cyclohexylsulfanylethyl)-2-(N-methylsulfonylanilino)acetamide (CID 2930050) is N-(2-cyclohexylsulfanylethyl)-2-(N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(2-cyclohexylsulfanylethyl)-2-(N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(2-cyclohexylsulfanylethyl)-2-(N-methylsulfonylanilino)acetamide is CS(=O)(=O)N(CC(=O)NCCSC1CCCCC1)c1ccccc1.
What is the InChIKey of N-(2-cyclohexylsulfanylethyl)-2-(N-methylsulfonylanilino)acetamide?
The InChIKey is BKIHBSGNNZXTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S2/c1-24(21,22)19(15-8-4-2-5-9-15)14-17(20)18-12-13-23-16-10-6-3-7-11-16/h2,4-5,8-9,16H,3,6-7,10-14H2,1H3,(H,18,20).
What are the key properties of N-(2-cyclohexylsulfanylethyl)-2-(N-methylsulfonylanilino)acetamide?
N-(2-cyclohexylsulfanylethyl)-2-(N-methylsulfonylanilino)acetamide has a molecular weight of 370.54 g/mol, XLogP of 2.63, 8 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-methylsulfonylanilino)acetamide is sourced from PubChem (CID 2930050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).