5-(4-cyclohexylphenyl)-N,N-dimethylthiophene-2-carboxamide

C19H23NOS — CID 46082628

IUPAC5-(4-cyclohexylphenyl)-N,N-dimethylthiophene-2-carboxamide
SMILESCN(C)C(=O)c1ccc(-c2ccc(C3CCCCC3)cc2)s1
InChIInChI=1S/C19H23NOS/c1-20(2)19(21)18-13-12-17(22-18)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h8-14H,3-7H2,1-2H3
InChIKeyRCSWOTZLJIFVIW-UHFFFAOYSA-N
MW313.47 g/mol
LogP5.16
Rot. Bonds3

About 5-(4-cyclohexylphenyl)-N,N-dimethylthiophene-2-carboxamide

5-(4-cyclohexylphenyl)-N,N-dimethylthiophene-2-carboxamide (PubChem CID 46082628) has the molecular formula C19H23NOS and a molecular weight of 313.47 g/mol. Its IUPAC name is 5-(4-cyclohexylphenyl)-N,N-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-cyclohexylphenyl)-N,N-dimethylthiophene-2-carboxamide
PubChem CID46082628
Molecular FormulaC19H23NOS
Molecular Weight313.47 g/mol
Exact Mass313.15
IUPAC Name5-(4-cyclohexylphenyl)-N,N-dimethylthiophene-2-carboxamide
SMILESCN(C)C(=O)c1ccc(-c2ccc(C3CCCCC3)cc2)s1
InChIInChI=1S/C19H23NOS/c1-20(2)19(21)18-13-12-17(22-18)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h8-14H,3-7H2,1-2H3
InChIKeyRCSWOTZLJIFVIW-UHFFFAOYSA-N
XLogP5.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.47
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[5-(4-cyclohexylphenyl)thiophen-2-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 92760451
N-cyclopentyl-5-(4-fluorophenyl)-N-propan-2-ylthiophene-2-carboxamide
CID 56517770
1-cyclohexyl-4-(4-methylphenyl)benzene
CID 54213441
1-cyclohexyl-4-(4-cyclohexylphenyl)benzene;hydrogen peroxide
CID 175051125
4-(4-cyclopentylphenoxy)-N,N-dimethylbenzamide
CID 142415037
N-cyclohexyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylthiophene-2-carboxamide
CID 30496126
5-(1,3-benzodioxol-5-yl)-N-cyclohexyl-N-ethylthiophene-2-carboxamide
CID 46082734
5-(4-bromophenyl)-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 119442269
1-cyclopentyl-4-(4-cyclopentylphenyl)benzene;hydrogen peroxide
CID 175056737
2-[4-(4-cyclohexylphenyl)phenyl]-2-methylpropanoic acid
CID 11522654
N,N-dimethyl-5-[4-[2-(oxolan-3-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 121494638
N-cyclohexyl-N-ethyl-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 46082752

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclohexylphenyl)-N,N-dimethylthiophene-2-carboxamide?
The IUPAC name of 5-(4-cyclohexylphenyl)-N,N-dimethylthiophene-2-carboxamide (CID 46082628) is 5-(4-cyclohexylphenyl)-N,N-dimethylthiophene-2-carboxamide.
What is the SMILES notation for 5-(4-cyclohexylphenyl)-N,N-dimethylthiophene-2-carboxamide?
The canonical SMILES for 5-(4-cyclohexylphenyl)-N,N-dimethylthiophene-2-carboxamide is CN(C)C(=O)c1ccc(-c2ccc(C3CCCCC3)cc2)s1.
What is the InChIKey of 5-(4-cyclohexylphenyl)-N,N-dimethylthiophene-2-carboxamide?
The InChIKey is RCSWOTZLJIFVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NOS/c1-20(2)19(21)18-13-12-17(22-18)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h8-14H,3-7H2,1-2H3.
What are the key properties of 5-(4-cyclohexylphenyl)-N,N-dimethylthiophene-2-carboxamide?
5-(4-cyclohexylphenyl)-N,N-dimethylthiophene-2-carboxamide has a molecular weight of 313.47 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclohexylphenyl)-N,N-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 46082628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).