N-(2-cyclohexylethyl)-2-(1-thiophen-2-ylethylsulfonyl)acetamide

C16H25NO3S2 — CID 75427232

IUPACN-(2-cyclohexylethyl)-2-(1-thiophen-2-ylethylsulfonyl)acetamide
SMILESCC(c1cccs1)S(=O)(=O)CC(=O)NCCC1CCCCC1
InChIInChI=1S/C16H25NO3S2/c1-13(15-8-5-11-21-15)22(19,20)12-16(18)17-10-9-14-6-3-2-4-7-14/h5,8,11,13-14H,2-4,6-7,9-10,12H2,1H3,(H,17,18)
InChIKeyKSTDXWIOHUDBAD-UHFFFAOYSA-N
MW343.51 g/mol
LogP3.31
Rot. Bonds7

About N-(2-cyclohexylethyl)-2-(1-thiophen-2-ylethylsulfonyl)acetamide

N-(2-cyclohexylethyl)-2-(1-thiophen-2-ylethylsulfonyl)acetamide (PubChem CID 75427232) has the molecular formula C16H25NO3S2 and a molecular weight of 343.51 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-2-(1-thiophen-2-ylethylsulfonyl)acetamide.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-2-(1-thiophen-2-ylethylsulfonyl)acetamide
PubChem CID75427232
Molecular FormulaC16H25NO3S2
Molecular Weight343.51 g/mol
Exact Mass343.13
IUPAC NameN-(2-cyclohexylethyl)-2-(1-thiophen-2-ylethylsulfonyl)acetamide
SMILESCC(c1cccs1)S(=O)(=O)CC(=O)NCCC1CCCCC1
InChIInChI=1S/C16H25NO3S2/c1-13(15-8-5-11-21-15)22(19,20)12-16(18)17-10-9-14-6-3-2-4-7-14/h5,8,11,13-14H,2-4,6-7,9-10,12H2,1H3,(H,17,18)
InChIKeyKSTDXWIOHUDBAD-UHFFFAOYSA-N
XLogP3.31
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-2-(1-thiophen-2-ylethylsulfonyl)acetamide?
The IUPAC name of N-(2-cyclohexylethyl)-2-(1-thiophen-2-ylethylsulfonyl)acetamide (CID 75427232) is N-(2-cyclohexylethyl)-2-(1-thiophen-2-ylethylsulfonyl)acetamide.
What is the SMILES notation for N-(2-cyclohexylethyl)-2-(1-thiophen-2-ylethylsulfonyl)acetamide?
The canonical SMILES for N-(2-cyclohexylethyl)-2-(1-thiophen-2-ylethylsulfonyl)acetamide is CC(c1cccs1)S(=O)(=O)CC(=O)NCCC1CCCCC1.
What is the InChIKey of N-(2-cyclohexylethyl)-2-(1-thiophen-2-ylethylsulfonyl)acetamide?
The InChIKey is KSTDXWIOHUDBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S2/c1-13(15-8-5-11-21-15)22(19,20)12-16(18)17-10-9-14-6-3-2-4-7-14/h5,8,11,13-14H,2-4,6-7,9-10,12H2,1H3,(H,17,18).
What are the key properties of N-(2-cyclohexylethyl)-2-(1-thiophen-2-ylethylsulfonyl)acetamide?
N-(2-cyclohexylethyl)-2-(1-thiophen-2-ylethylsulfonyl)acetamide has a molecular weight of 343.51 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-2-(1-thiophen-2-ylethylsulfonyl)acetamide is sourced from PubChem (CID 75427232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).