N,N-bis(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzamide

C18H14F3NOS2 — CID 55438026

IUPACN,N-bis(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzamide
SMILESO=C(c1cccc(C(F)(F)F)c1)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C18H14F3NOS2/c19-18(20,21)14-5-1-4-13(10-14)17(23)22(11-15-6-2-8-24-15)12-16-7-3-9-25-16/h1-10H,11-12H2
InChIKeyXXCJONSASDMECV-UHFFFAOYSA-N
MW381.44 g/mol
LogP5.67
Rot. Bonds5

About N,N-bis(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzamide

N,N-bis(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzamide (PubChem CID 55438026) has the molecular formula C18H14F3NOS2 and a molecular weight of 381.44 g/mol. Its IUPAC name is N,N-bis(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN,N-bis(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzamide
PubChem CID55438026
Molecular FormulaC18H14F3NOS2
Molecular Weight381.44 g/mol
Exact Mass381.05
IUPAC NameN,N-bis(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzamide
SMILESO=C(c1cccc(C(F)(F)F)c1)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C18H14F3NOS2/c19-18(20,21)14-5-1-4-13(10-14)17(23)22(11-15-6-2-8-24-15)12-16-7-3-9-25-16/h1-10H,11-12H2
InChIKeyXXCJONSASDMECV-UHFFFAOYSA-N
XLogP5.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.44
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzamide
CID 90610702
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-propyl-3-(trifluoromethyl)benzamide
CID 5145017
N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 3389989
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 3-(trifluoromethyl)benzoate
CID 7603968
N-benzyl-3-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 42698347
N-(4-thiophen-2-ylbutyl)-3-(trifluoromethyl)benzamide
CID 174746651
3-acetamido-N,N-bis(thiophen-2-ylmethyl)benzamide
CID 17409595
2,2,2-trifluoro-N,N-bis(thiophen-2-ylmethyl)acetamide
CID 62490776
3-(2,2-dimethylpropanoylamino)-N,N-bis(thiophen-2-ylmethyl)benzamide
CID 31841528
N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(3-methoxypropyl)-3-(trifluoromethyl)benzamide
CID 4147265
N,N-bis(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 31010892
3-(tetrazol-1-yl)-N,N-bis(thiophen-2-ylmethyl)benzamide
CID 31838484

Frequently Asked Questions

What is the IUPAC name of N,N-bis(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N,N-bis(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzamide (CID 55438026) is N,N-bis(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N,N-bis(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N,N-bis(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzamide is O=C(c1cccc(C(F)(F)F)c1)N(Cc1cccs1)Cc1cccs1.
What is the InChIKey of N,N-bis(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzamide?
The InChIKey is XXCJONSASDMECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3NOS2/c19-18(20,21)14-5-1-4-13(10-14)17(23)22(11-15-6-2-8-24-15)12-16-7-3-9-25-16/h1-10H,11-12H2.
What are the key properties of N,N-bis(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzamide?
N,N-bis(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzamide has a molecular weight of 381.44 g/mol, XLogP of 5.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 55438026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).