N-(2-cyclohexyl-2-hydroxyethyl)-4-thiophen-3-ylbenzamide

C19H23NO2S — CID 91624535

IUPACN-(2-cyclohexyl-2-hydroxyethyl)-4-thiophen-3-ylbenzamide
SMILESO=C(NCC(O)C1CCCCC1)c1ccc(-c2ccsc2)cc1
InChIInChI=1S/C19H23NO2S/c21-18(15-4-2-1-3-5-15)12-20-19(22)16-8-6-14(7-9-16)17-10-11-23-13-17/h6-11,13,15,18,21H,1-5,12H2,(H,20,22)
InChIKeyIJABGHFNFJVSDH-UHFFFAOYSA-N
MW329.46 g/mol
LogP4.09
Rot. Bonds5

About N-(2-cyclohexyl-2-hydroxyethyl)-4-thiophen-3-ylbenzamide

N-(2-cyclohexyl-2-hydroxyethyl)-4-thiophen-3-ylbenzamide (PubChem CID 91624535) has the molecular formula C19H23NO2S and a molecular weight of 329.46 g/mol. Its IUPAC name is N-(2-cyclohexyl-2-hydroxyethyl)-4-thiophen-3-ylbenzamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-2-hydroxyethyl)-4-thiophen-3-ylbenzamide
PubChem CID91624535
Molecular FormulaC19H23NO2S
Molecular Weight329.46 g/mol
Exact Mass329.14
IUPAC NameN-(2-cyclohexyl-2-hydroxyethyl)-4-thiophen-3-ylbenzamide
SMILESO=C(NCC(O)C1CCCCC1)c1ccc(-c2ccsc2)cc1
InChIInChI=1S/C19H23NO2S/c21-18(15-4-2-1-3-5-15)12-20-19(22)16-8-6-14(7-9-16)17-10-11-23-13-17/h6-11,13,15,18,21H,1-5,12H2,(H,20,22)
InChIKeyIJABGHFNFJVSDH-UHFFFAOYSA-N
XLogP4.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.46
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-cyclohexyl-2-hydroxyethyl]thiophene-3-carboxamide
CID 95292148
N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-4-phenylbenzamide
CID 95367502
N-cyclohexyl-4-thiophen-3-ylbenzamide
CID 20974786
4-bromo-N-[(2R)-2-cyclohexyl-2-hydroxyethyl]benzamide
CID 95292167
N-cyclopentyl-4-thiophen-3-ylbenzamide
CID 20974787
N-(2-cyclohexyl-2-hydroxyethyl)-4-propylbenzamide
CID 90498765
N-(2-cyclopentyl-2-hydroxyethyl)-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 111426410
N-(2-cyclopropyl-2-hydroxyethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 55170247
N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)benzamide
CID 99621248
N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)benzamide
CID 99621245
N-(2-cyclohexyl-2-hydroxyethyl)-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)benzamide
CID 102561389
4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)benzamide
CID 63294334

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-2-hydroxyethyl)-4-thiophen-3-ylbenzamide?
The IUPAC name of N-(2-cyclohexyl-2-hydroxyethyl)-4-thiophen-3-ylbenzamide (CID 91624535) is N-(2-cyclohexyl-2-hydroxyethyl)-4-thiophen-3-ylbenzamide.
What is the SMILES notation for N-(2-cyclohexyl-2-hydroxyethyl)-4-thiophen-3-ylbenzamide?
The canonical SMILES for N-(2-cyclohexyl-2-hydroxyethyl)-4-thiophen-3-ylbenzamide is O=C(NCC(O)C1CCCCC1)c1ccc(-c2ccsc2)cc1.
What is the InChIKey of N-(2-cyclohexyl-2-hydroxyethyl)-4-thiophen-3-ylbenzamide?
The InChIKey is IJABGHFNFJVSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c21-18(15-4-2-1-3-5-15)12-20-19(22)16-8-6-14(7-9-16)17-10-11-23-13-17/h6-11,13,15,18,21H,1-5,12H2,(H,20,22).
What are the key properties of N-(2-cyclohexyl-2-hydroxyethyl)-4-thiophen-3-ylbenzamide?
N-(2-cyclohexyl-2-hydroxyethyl)-4-thiophen-3-ylbenzamide has a molecular weight of 329.46 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-2-hydroxyethyl)-4-thiophen-3-ylbenzamide is sourced from PubChem (CID 91624535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).