N-butan-2-yl-2-(thiophen-2-ylmethylsulfanyl)benzamide

C16H19NOS2 — CID 43044656

IUPACN-butan-2-yl-2-(thiophen-2-ylmethylsulfanyl)benzamide
SMILESCCC(C)NC(=O)c1ccccc1SCc1cccs1
InChIInChI=1S/C16H19NOS2/c1-3-12(2)17-16(18)14-8-4-5-9-15(14)20-11-13-7-6-10-19-13/h4-10,12H,3,11H2,1-2H3,(H,17,18)
InChIKeyHVXILGPDGAYCAF-UHFFFAOYSA-N
MW305.47 g/mol
LogP4.57
Rot. Bonds6

About N-butan-2-yl-2-(thiophen-2-ylmethylsulfanyl)benzamide

N-butan-2-yl-2-(thiophen-2-ylmethylsulfanyl)benzamide (PubChem CID 43044656) has the molecular formula C16H19NOS2 and a molecular weight of 305.47 g/mol. Its IUPAC name is N-butan-2-yl-2-(thiophen-2-ylmethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(thiophen-2-ylmethylsulfanyl)benzamide
PubChem CID43044656
Molecular FormulaC16H19NOS2
Molecular Weight305.47 g/mol
Exact Mass305.09
IUPAC NameN-butan-2-yl-2-(thiophen-2-ylmethylsulfanyl)benzamide
SMILESCCC(C)NC(=O)c1ccccc1SCc1cccs1
InChIInChI=1S/C16H19NOS2/c1-3-12(2)17-16(18)14-8-4-5-9-15(14)20-11-13-7-6-10-19-13/h4-10,12H,3,11H2,1-2H3,(H,17,18)
InChIKeyHVXILGPDGAYCAF-UHFFFAOYSA-N
XLogP4.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(ethylamino)-2-oxoethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 9489372
N-[2-(ethylamino)ethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide;hydrochloride
CID 119506712
2-[[2-(butan-2-ylcarbamoyl)phenyl]sulfanylmethyl]furan-3-carboxylic acid
CID 119179086
N-prop-2-enyl-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 9399909
N-(3-acetamidophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 24513660
methyl N-[4-[[2-(thiophen-2-ylmethylsulfanyl)benzoyl]amino]phenyl]carbamate
CID 55804766
N-(2-phenylethyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 18283562
N-butan-2-yl-2-(cyanomethylsulfanyl)benzamide
CID 47004681
N-[(2R)-butan-2-yl]-2-(cyanomethylsulfanyl)benzamide
CID 94336055
N-(2-methyl-3-piperidin-1-ylpropyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 55979886
N-(4-pyrrolidin-1-ylphenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 18205229
N-[3-(2,2-dimethylpropanoylamino)phenyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 167895154

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(thiophen-2-ylmethylsulfanyl)benzamide?
The IUPAC name of N-butan-2-yl-2-(thiophen-2-ylmethylsulfanyl)benzamide (CID 43044656) is N-butan-2-yl-2-(thiophen-2-ylmethylsulfanyl)benzamide.
What is the SMILES notation for N-butan-2-yl-2-(thiophen-2-ylmethylsulfanyl)benzamide?
The canonical SMILES for N-butan-2-yl-2-(thiophen-2-ylmethylsulfanyl)benzamide is CCC(C)NC(=O)c1ccccc1SCc1cccs1.
What is the InChIKey of N-butan-2-yl-2-(thiophen-2-ylmethylsulfanyl)benzamide?
The InChIKey is HVXILGPDGAYCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS2/c1-3-12(2)17-16(18)14-8-4-5-9-15(14)20-11-13-7-6-10-19-13/h4-10,12H,3,11H2,1-2H3,(H,17,18).
What are the key properties of N-butan-2-yl-2-(thiophen-2-ylmethylsulfanyl)benzamide?
N-butan-2-yl-2-(thiophen-2-ylmethylsulfanyl)benzamide has a molecular weight of 305.47 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(thiophen-2-ylmethylsulfanyl)benzamide is sourced from PubChem (CID 43044656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).