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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Related Compounds

2-(2-cyclohexylethylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 115285275
2-cyclohexyl-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 46522897
3-cyclohexyl-N-[phenyl(thiophen-2-yl)methyl]propanamide
CID 18290416
N-(2-cyclohexylethyl)-2-[(R)-phenylsulfinyl]acetamide
CID 97228059
N-methyl-2-(1-thiophen-2-ylethylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 71979150
3-amino-N-(2-cyclohexylethyl)butanamide;hydrochloride
CID 119725742
N-(2-cyclohexylethyl)-2-methyl-3-(methylamino)propanamide
CID 79195699
N-(cyclohexylmethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 43225929
methyl (3S)-3-(cyclohexylmethylsulfonylamino)-3-thiophen-2-ylpropanoate
CID 95733855
2-cyclohexyl-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]acetamide
CID 90583448
2-amino-N-(cyclopentylmethyl)-2-thiophen-2-ylacetamide
CID 115286039
N-(2-cyclopentylsulfanylethyl)-2-thiophen-2-ylacetamide
CID 94101567

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).