N-methyl-2-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide

C14H15NOS2 — CID 107032184

IUPACN-methyl-2-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide
SMILESCN(CCc1cccs1)C(=O)c1ccccc1S
InChIInChI=1S/C14H15NOS2/c1-15(9-8-11-5-4-10-18-11)14(16)12-6-2-3-7-13(12)17/h2-7,10,17H,8-9H2,1H3
InChIKeyHFVWZBOOONNHDX-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.35
Rot. Bonds4

About N-methyl-2-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide

N-methyl-2-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide (PubChem CID 107032184) has the molecular formula C14H15NOS2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-methyl-2-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound NameN-methyl-2-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide
PubChem CID107032184
Molecular FormulaC14H15NOS2
Molecular Weight277.41 g/mol
Exact Mass277.06
IUPAC NameN-methyl-2-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide
SMILESCN(CCc1cccs1)C(=O)c1ccccc1S
InChIInChI=1S/C14H15NOS2/c1-15(9-8-11-5-4-10-18-11)14(16)12-6-2-3-7-13(12)17/h2-7,10,17H,8-9H2,1H3
InChIKeyHFVWZBOOONNHDX-UHFFFAOYSA-N
XLogP3.35
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79019362
2-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79036837
3-hydroxy-N,2-dimethyl-N-(2-thiophen-2-ylethyl)benzamide
CID 82829909
N-methyl-3-phenyl-2-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide
CID 107032185
2-amino-N-methyl-2-phenyl-N-(2-thiophen-2-ylethyl)acetamide
CID 79494111
5-bromo-2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79036874
2-hydroxy-N-methyl-3-nitro-N-(2-thiophen-2-ylethyl)benzamide
CID 103800351
3-bromo-N-methyl-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 79036876
3,6-dichloro-N-methyl-N-(2-thiophen-2-ylethyl)pyridazine-4-carboxamide
CID 114038532
4-bromo-2-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79036891
5-amino-N-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide
CID 79487631
N-methyl-3-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide
CID 107032192

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide?
The IUPAC name of N-methyl-2-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide (CID 107032184) is N-methyl-2-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for N-methyl-2-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for N-methyl-2-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide is CN(CCc1cccs1)C(=O)c1ccccc1S.
What is the InChIKey of N-methyl-2-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide?
The InChIKey is HFVWZBOOONNHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS2/c1-15(9-8-11-5-4-10-18-11)14(16)12-6-2-3-7-13(12)17/h2-7,10,17H,8-9H2,1H3.
What are the key properties of N-methyl-2-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide?
N-methyl-2-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide has a molecular weight of 277.41 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 107032184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).