N-cyclohexyl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide

C17H26N2O4S — CID 1354379

IUPACN-cyclohexyl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
SMILESCCOc1ccccc1N(CC(=O)NC1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C17H26N2O4S/c1-3-23-16-12-8-7-11-15(16)19(24(2,21)22)13-17(20)18-14-9-5-4-6-10-14/h7-8,11-12,14H,3-6,9-10,13H2,1-2H3,(H,18,20)
InChIKeyIJTOYCDASYVEEQ-UHFFFAOYSA-N
MW354.47 g/mol
LogP2.30
Rot. Bonds7

About N-cyclohexyl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide

N-cyclohexyl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide (PubChem CID 1354379) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is N-cyclohexyl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
PubChem CID1354379
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC NameN-cyclohexyl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
SMILESCCOc1ccccc1N(CC(=O)NC1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C17H26N2O4S/c1-3-23-16-12-8-7-11-15(16)19(24(2,21)22)13-17(20)18-14-9-5-4-6-10-14/h7-8,11-12,14H,3-6,9-10,13H2,1-2H3,(H,18,20)
InChIKeyIJTOYCDASYVEEQ-UHFFFAOYSA-N
XLogP2.30
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-cyclohexyl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide (CID 1354379) is N-cyclohexyl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-cyclohexyl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide is CCOc1ccccc1N(CC(=O)NC1CCCCC1)S(C)(=O)=O.
What is the InChIKey of N-cyclohexyl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide?
The InChIKey is IJTOYCDASYVEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-3-23-16-12-8-7-11-15(16)19(24(2,21)22)13-17(20)18-14-9-5-4-6-10-14/h7-8,11-12,14H,3-6,9-10,13H2,1-2H3,(H,18,20).
What are the key properties of N-cyclohexyl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide?
N-cyclohexyl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide has a molecular weight of 354.47 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 1354379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).