N-(3-acetamidophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide

C20H18N2O2S2 — CID 24513660

IUPACN-(3-acetamidophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccccc2SCc2cccs2)c1
InChIInChI=1S/C20H18N2O2S2/c1-14(23)21-15-6-4-7-16(12-15)22-20(24)18-9-2-3-10-19(18)26-13-17-8-5-11-25-17/h2-12H,13H2,1H3,(H,21,23)(H,22,24)
InChIKeyJKJCHSPIQLABHP-UHFFFAOYSA-N
MW382.51 g/mol
LogP5.25
Rot. Bonds6

About N-(3-acetamidophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide

N-(3-acetamidophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide (PubChem CID 24513660) has the molecular formula C20H18N2O2S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide
PubChem CID24513660
Molecular FormulaC20H18N2O2S2
Molecular Weight382.51 g/mol
Exact Mass382.08
IUPAC NameN-(3-acetamidophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccccc2SCc2cccs2)c1
InChIInChI=1S/C20H18N2O2S2/c1-14(23)21-15-6-4-7-16(12-15)22-20(24)18-9-2-3-10-19(18)26-13-17-8-5-11-25-17/h2-12H,13H2,1H3,(H,21,23)(H,22,24)
InChIKeyJKJCHSPIQLABHP-UHFFFAOYSA-N
XLogP5.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2,2-dimethylpropanoylamino)phenyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 167895154
N-(3-nitrophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 26719369
methyl N-[4-[[2-(thiophen-2-ylmethylsulfanyl)benzoyl]amino]phenyl]carbamate
CID 55804766
N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 47072037
N-(3-chloro-4-cyanophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 9456173
N-butan-2-yl-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 43044656
N-(4-pyrrolidin-1-ylphenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 18205229
N-(2,4-difluorophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 37345134
N-(3-acetamidophenyl)-2-[(4-cyanophenyl)methylsulfanyl]benzamide
CID 112763239
N-[2-(ethylamino)-2-oxoethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 9489372
N-[2-(ethylamino)ethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide;hydrochloride
CID 119506712
N-prop-2-enyl-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 9399909

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide?
The IUPAC name of N-(3-acetamidophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide (CID 24513660) is N-(3-acetamidophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide is CC(=O)Nc1cccc(NC(=O)c2ccccc2SCc2cccs2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide?
The InChIKey is JKJCHSPIQLABHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S2/c1-14(23)21-15-6-4-7-16(12-15)22-20(24)18-9-2-3-10-19(18)26-13-17-8-5-11-25-17/h2-12H,13H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-(3-acetamidophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide?
N-(3-acetamidophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide has a molecular weight of 382.51 g/mol, XLogP of 5.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide is sourced from PubChem (CID 24513660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).