N-(2,4-difluorophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide

C18H13F2NOS2 — CID 37345134

IUPACN-(2,4-difluorophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccccc1SCc1cccs1
InChIInChI=1S/C18H13F2NOS2/c19-12-7-8-16(15(20)10-12)21-18(22)14-5-1-2-6-17(14)24-11-13-4-3-9-23-13/h1-10H,11H2,(H,21,22)
InChIKeyHCRHDKLQIDSZSR-UHFFFAOYSA-N
MW361.44 g/mol
LogP5.57
Rot. Bonds5

About N-(2,4-difluorophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide

N-(2,4-difluorophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide (PubChem CID 37345134) has the molecular formula C18H13F2NOS2 and a molecular weight of 361.44 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide
PubChem CID37345134
Molecular FormulaC18H13F2NOS2
Molecular Weight361.44 g/mol
Exact Mass361.04
IUPAC NameN-(2,4-difluorophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccccc1SCc1cccs1
InChIInChI=1S/C18H13F2NOS2/c19-12-7-8-16(15(20)10-12)21-18(22)14-5-1-2-6-17(14)24-11-13-4-3-9-23-13/h1-10H,11H2,(H,21,22)
InChIKeyHCRHDKLQIDSZSR-UHFFFAOYSA-N
XLogP5.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.44
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamidophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 24513660
1-N,2-N-bis(2,4-difluorophenyl)benzene-1,2-dicarboxamide
CID 4062467
methyl N-[4-[[2-(thiophen-2-ylmethylsulfanyl)benzoyl]amino]phenyl]carbamate
CID 55804766
N-[3-(2,2-dimethylpropanoylamino)phenyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 167895154
N-butan-2-yl-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 43044656
N-(3-nitrophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 26719369
N-prop-2-enyl-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 9399909
N-(2-phenylethyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 18283562
N-(4-pyrrolidin-1-ylphenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 18205229
N-(3-chloro-4-cyanophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 9456173
N-[2-(ethylamino)-2-oxoethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 9489372
N-[2-(ethylamino)ethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide;hydrochloride
CID 119506712

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide (CID 37345134) is N-(2,4-difluorophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide is O=C(Nc1ccc(F)cc1F)c1ccccc1SCc1cccs1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide?
The InChIKey is HCRHDKLQIDSZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2NOS2/c19-12-7-8-16(15(20)10-12)21-18(22)14-5-1-2-6-17(14)24-11-13-4-3-9-23-13/h1-10H,11H2,(H,21,22).
What are the key properties of N-(2,4-difluorophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide?
N-(2,4-difluorophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide has a molecular weight of 361.44 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide is sourced from PubChem (CID 37345134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).