5-(1,3-benzodioxol-5-yl)-N-cyclohexyl-N-ethylthiophene-2-carboxamide

C20H23NO3S — CID 46082734

IUPAC5-(1,3-benzodioxol-5-yl)-N-cyclohexyl-N-ethylthiophene-2-carboxamide
SMILESCCN(C(=O)c1ccc(-c2ccc3c(c2)OCO3)s1)C1CCCCC1
InChIInChI=1S/C20H23NO3S/c1-2-21(15-6-4-3-5-7-15)20(22)19-11-10-18(25-19)14-8-9-16-17(12-14)24-13-23-16/h8-12,15H,2-7,13H2,1H3
InChIKeyUTLFICZRXRHVFX-UHFFFAOYSA-N
MW357.48 g/mol
LogP4.94
Rot. Bonds4

About 5-(1,3-benzodioxol-5-yl)-N-cyclohexyl-N-ethylthiophene-2-carboxamide

5-(1,3-benzodioxol-5-yl)-N-cyclohexyl-N-ethylthiophene-2-carboxamide (PubChem CID 46082734) has the molecular formula C20H23NO3S and a molecular weight of 357.48 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-N-cyclohexyl-N-ethylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-N-cyclohexyl-N-ethylthiophene-2-carboxamide
PubChem CID46082734
Molecular FormulaC20H23NO3S
Molecular Weight357.48 g/mol
Exact Mass357.14
IUPAC Name5-(1,3-benzodioxol-5-yl)-N-cyclohexyl-N-ethylthiophene-2-carboxamide
SMILESCCN(C(=O)c1ccc(-c2ccc3c(c2)OCO3)s1)C1CCCCC1
InChIInChI=1S/C20H23NO3S/c1-2-21(15-6-4-3-5-7-15)20(22)19-11-10-18(25-19)14-8-9-16-17(12-14)24-13-23-16/h8-12,15H,2-7,13H2,1H3
InChIKeyUTLFICZRXRHVFX-UHFFFAOYSA-N
XLogP4.94
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylthiophene-2-carboxamide
CID 30496126
N-cyclohexyl-N-ethyl-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 46082752
N-(1,3-benzodioxol-5-ylmethyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylthiophene-2-carboxamide
CID 55372223
N-cyclopentyl-N-ethyl-5-nitrothiophene-2-carboxamide
CID 134059838
N-cyclohexyl-N-ethyl-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 61076880
N-[2-(cyclohexanecarbonylamino)ethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide
CID 55805782
N-cyclohexyl-N-prop-2-enyl-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 46082788
N-[2-[cyclohexyl(ethyl)sulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 7423356
3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carbonyl]-ethylamino]propanoic acid
CID 119191114
N-cyclohexyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 8875131
5-(4-cyclohexylphenyl)-N,N-dimethylthiophene-2-carboxamide
CID 46082628
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophen-2-yl]methanone
CID 55806198

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-N-cyclohexyl-N-ethylthiophene-2-carboxamide?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-N-cyclohexyl-N-ethylthiophene-2-carboxamide (CID 46082734) is 5-(1,3-benzodioxol-5-yl)-N-cyclohexyl-N-ethylthiophene-2-carboxamide.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-N-cyclohexyl-N-ethylthiophene-2-carboxamide?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-N-cyclohexyl-N-ethylthiophene-2-carboxamide is CCN(C(=O)c1ccc(-c2ccc3c(c2)OCO3)s1)C1CCCCC1.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-N-cyclohexyl-N-ethylthiophene-2-carboxamide?
The InChIKey is UTLFICZRXRHVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3S/c1-2-21(15-6-4-3-5-7-15)20(22)19-11-10-18(25-19)14-8-9-16-17(12-14)24-13-23-16/h8-12,15H,2-7,13H2,1H3.
What are the key properties of 5-(1,3-benzodioxol-5-yl)-N-cyclohexyl-N-ethylthiophene-2-carboxamide?
5-(1,3-benzodioxol-5-yl)-N-cyclohexyl-N-ethylthiophene-2-carboxamide has a molecular weight of 357.48 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-N-cyclohexyl-N-ethylthiophene-2-carboxamide is sourced from PubChem (CID 46082734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).