N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-difluorobenzamide

C15H16F2N2OS — CID 47024496

IUPACN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-difluorobenzamide
SMILESCN(C)C(CNC(=O)c1cc(F)cc(F)c1)c1ccsc1
InChIInChI=1S/C15H16F2N2OS/c1-19(2)14(10-3-4-21-9-10)8-18-15(20)11-5-12(16)7-13(17)6-11/h3-7,9,14H,8H2,1-2H3,(H,18,20)
InChIKeyDDRVPWIOGWOJLM-UHFFFAOYSA-N
MW310.37 g/mol
LogP3.06
Rot. Bonds5

About N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-difluorobenzamide

N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-difluorobenzamide (PubChem CID 47024496) has the molecular formula C15H16F2N2OS and a molecular weight of 310.37 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-difluorobenzamide
PubChem CID47024496
Molecular FormulaC15H16F2N2OS
Molecular Weight310.37 g/mol
Exact Mass310.10
IUPAC NameN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-difluorobenzamide
SMILESCN(C)C(CNC(=O)c1cc(F)cc(F)c1)c1ccsc1
InChIInChI=1S/C15H16F2N2OS/c1-19(2)14(10-3-4-21-9-10)8-18-15(20)11-5-12(16)7-13(17)6-11/h3-7,9,14H,8H2,1-2H3,(H,18,20)
InChIKeyDDRVPWIOGWOJLM-UHFFFAOYSA-N
XLogP3.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-difluorobenzamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-difluorobenzamide (CID 47024496) is N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-difluorobenzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-difluorobenzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-difluorobenzamide is CN(C)C(CNC(=O)c1cc(F)cc(F)c1)c1ccsc1.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-difluorobenzamide?
The InChIKey is DDRVPWIOGWOJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2OS/c1-19(2)14(10-3-4-21-9-10)8-18-15(20)11-5-12(16)7-13(17)6-11/h3-7,9,14H,8H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-difluorobenzamide?
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-difluorobenzamide has a molecular weight of 310.37 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-difluorobenzamide is sourced from PubChem (CID 47024496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).