N-cyclohexyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylthiophene-2-carboxamide

C21H25NO3S — CID 30496126

IUPACN-cyclohexyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylthiophene-2-carboxamide
SMILESCCN(C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)C1CCCCC1
InChIInChI=1S/C21H25NO3S/c1-2-22(16-6-4-3-5-7-16)21(23)20-11-10-19(26-20)15-8-9-17-18(14-15)25-13-12-24-17/h8-11,14,16H,2-7,12-13H2,1H3
InChIKeyLGXVXJNZOYAJGY-UHFFFAOYSA-N
MW371.50 g/mol
LogP4.98
Rot. Bonds4

About N-cyclohexyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylthiophene-2-carboxamide

N-cyclohexyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylthiophene-2-carboxamide (PubChem CID 30496126) has the molecular formula C21H25NO3S and a molecular weight of 371.50 g/mol. Its IUPAC name is N-cyclohexyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylthiophene-2-carboxamide
PubChem CID30496126
Molecular FormulaC21H25NO3S
Molecular Weight371.50 g/mol
Exact Mass371.16
IUPAC NameN-cyclohexyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylthiophene-2-carboxamide
SMILESCCN(C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)C1CCCCC1
InChIInChI=1S/C21H25NO3S/c1-2-22(16-6-4-3-5-7-16)21(23)20-11-10-19(26-20)15-8-9-17-18(14-15)25-13-12-24-17/h8-11,14,16H,2-7,12-13H2,1H3
InChIKeyLGXVXJNZOYAJGY-UHFFFAOYSA-N
XLogP4.98
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.50
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1,3-benzodioxol-5-yl)-N-cyclohexyl-N-ethylthiophene-2-carboxamide
CID 46082734
N-cyclohexyl-N-ethyl-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 46082752
N-[2-(cyclohexanecarbonylamino)ethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide
CID 55805782
3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carbonyl]-ethylamino]propanoic acid
CID 119191114
N-(1,3-benzodioxol-5-ylmethyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylthiophene-2-carboxamide
CID 55372223
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylthiophene-2-carboxamide
CID 34730083
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pentylthiophene-2-carboxamide
CID 35812191
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
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide
CID 46082863
N-cyclopentyl-N-ethyl-5-nitrothiophene-2-carboxamide
CID 134059838
N-cyclohexyl-N-ethyl-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 61076880
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]thiophene-2-carboxamide
CID 38212993

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylthiophene-2-carboxamide?
The IUPAC name of N-cyclohexyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylthiophene-2-carboxamide (CID 30496126) is N-cyclohexyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylthiophene-2-carboxamide?
The canonical SMILES for N-cyclohexyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylthiophene-2-carboxamide is CCN(C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylthiophene-2-carboxamide?
The InChIKey is LGXVXJNZOYAJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3S/c1-2-22(16-6-4-3-5-7-16)21(23)20-11-10-19(26-20)15-8-9-17-18(14-15)25-13-12-24-17/h8-11,14,16H,2-7,12-13H2,1H3.
What are the key properties of N-cyclohexyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylthiophene-2-carboxamide?
N-cyclohexyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylthiophene-2-carboxamide has a molecular weight of 371.50 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylthiophene-2-carboxamide is sourced from PubChem (CID 30496126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).