N,N-dimethyl-5-[4-[2-(oxolan-3-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide

C20H24N2O3S — CID 121494638

IUPACN,N-dimethyl-5-[4-[2-(oxolan-3-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESCN(C)C(=O)c1ccc(-c2ccc(C(=O)NCCC3CCOC3)cc2)s1
InChIInChI=1S/C20H24N2O3S/c1-22(2)20(24)18-8-7-17(26-18)15-3-5-16(6-4-15)19(23)21-11-9-14-10-12-25-13-14/h3-8,14H,9-13H2,1-2H3,(H,21,23)
InChIKeyZNKQZBCLWAATNO-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.27
Rot. Bonds6

About N,N-dimethyl-5-[4-[2-(oxolan-3-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide

N,N-dimethyl-5-[4-[2-(oxolan-3-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 121494638) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N,N-dimethyl-5-[4-[2-(oxolan-3-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[4-[2-(oxolan-3-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID121494638
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN,N-dimethyl-5-[4-[2-(oxolan-3-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESCN(C)C(=O)c1ccc(-c2ccc(C(=O)NCCC3CCOC3)cc2)s1
InChIInChI=1S/C20H24N2O3S/c1-22(2)20(24)18-8-7-17(26-18)15-3-5-16(6-4-15)19(23)21-11-9-14-10-12-25-13-14/h3-8,14H,9-13H2,1-2H3,(H,21,23)
InChIKeyZNKQZBCLWAATNO-UHFFFAOYSA-N
XLogP3.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methylamino)-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 114131493
4-(4-methylsulfonylphenyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]benzamide
CID 126447960
5-[4-[[(3R)-oxolan-3-yl]carbamoyl]phenyl]-N-propylthiophene-2-carboxamide
CID 126425253
5-chloro-N-[2-(oxolan-3-yl)ethyl]thiophene-2-carboxamide
CID 91776294
3-[3-(dimethylamino)phenyl]-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide
CID 125174087
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[2-[(3R)-oxolan-3-yl]ethyl]benzamide
CID 125164487
4-(5-methoxy-3-pyridinyl)-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 121494536
4-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 121497411
3-chloro-4-iodo-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 113415088
N-[2-(oxolan-3-yl)ethyl]-3-sulfanylbenzamide
CID 114130501
4-(1-oxo-2H-isoquinolin-7-yl)-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide
CID 126432243
3-bromo-4-methoxy-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 113415100

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[4-[2-(oxolan-3-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N,N-dimethyl-5-[4-[2-(oxolan-3-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide (CID 121494638) is N,N-dimethyl-5-[4-[2-(oxolan-3-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-[4-[2-(oxolan-3-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N,N-dimethyl-5-[4-[2-(oxolan-3-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide is CN(C)C(=O)c1ccc(-c2ccc(C(=O)NCCC3CCOC3)cc2)s1.
What is the InChIKey of N,N-dimethyl-5-[4-[2-(oxolan-3-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is ZNKQZBCLWAATNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-22(2)20(24)18-8-7-17(26-18)15-3-5-16(6-4-15)19(23)21-11-9-14-10-12-25-13-14/h3-8,14H,9-13H2,1-2H3,(H,21,23).
What are the key properties of N,N-dimethyl-5-[4-[2-(oxolan-3-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide?
N,N-dimethyl-5-[4-[2-(oxolan-3-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[4-[2-(oxolan-3-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 121494638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).