N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]thiophene-2-carboxamide

C15H17ClN2OS — CID 47102174

IUPACN-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]thiophene-2-carboxamide
SMILESCN(C)C(CNC(=O)c1cccs1)c1ccccc1Cl
InChIInChI=1S/C15H17ClN2OS/c1-18(2)13(11-6-3-4-7-12(11)16)10-17-15(19)14-8-5-9-20-14/h3-9,13H,10H2,1-2H3,(H,17,19)
InChIKeyJJYUNQCHGHTHBT-UHFFFAOYSA-N
MW308.83 g/mol
LogP3.43
Rot. Bonds5

About N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]thiophene-2-carboxamide

N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]thiophene-2-carboxamide (PubChem CID 47102174) has the molecular formula C15H17ClN2OS and a molecular weight of 308.83 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]thiophene-2-carboxamide
PubChem CID47102174
Molecular FormulaC15H17ClN2OS
Molecular Weight308.83 g/mol
Exact Mass308.08
IUPAC NameN-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]thiophene-2-carboxamide
SMILESCN(C)C(CNC(=O)c1cccs1)c1ccccc1Cl
InChIInChI=1S/C15H17ClN2OS/c1-18(2)13(11-6-3-4-7-12(11)16)10-17-15(19)14-8-5-9-20-14/h3-9,13H,10H2,1-2H3,(H,17,19)
InChIKeyJJYUNQCHGHTHBT-UHFFFAOYSA-N
XLogP3.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]thiophene-2-carboxamide (CID 47102174) is N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]thiophene-2-carboxamide is CN(C)C(CNC(=O)c1cccs1)c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]thiophene-2-carboxamide?
The InChIKey is JJYUNQCHGHTHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2OS/c1-18(2)13(11-6-3-4-7-12(11)16)10-17-15(19)14-8-5-9-20-14/h3-9,13H,10H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]thiophene-2-carboxamide?
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]thiophene-2-carboxamide has a molecular weight of 308.83 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 47102174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).