N-methyl-2-(4-sulfanylphenyl)-N-(1-thiophen-2-ylethyl)acetamide

C15H17NOS2 — CID 107025959

IUPACN-methyl-2-(4-sulfanylphenyl)-N-(1-thiophen-2-ylethyl)acetamide
SMILESCC(c1cccs1)N(C)C(=O)Cc1ccc(S)cc1
InChIInChI=1S/C15H17NOS2/c1-11(14-4-3-9-19-14)16(2)15(17)10-12-5-7-13(18)8-6-12/h3-9,11,18H,10H2,1-2H3
InChIKeyJBCDCLVFVZJFGN-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.80
Rot. Bonds4

About N-methyl-2-(4-sulfanylphenyl)-N-(1-thiophen-2-ylethyl)acetamide

N-methyl-2-(4-sulfanylphenyl)-N-(1-thiophen-2-ylethyl)acetamide (PubChem CID 107025959) has the molecular formula C15H17NOS2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-methyl-2-(4-sulfanylphenyl)-N-(1-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(4-sulfanylphenyl)-N-(1-thiophen-2-ylethyl)acetamide
PubChem CID107025959
Molecular FormulaC15H17NOS2
Molecular Weight291.44 g/mol
Exact Mass291.08
IUPAC NameN-methyl-2-(4-sulfanylphenyl)-N-(1-thiophen-2-ylethyl)acetamide
SMILESCC(c1cccs1)N(C)C(=O)Cc1ccc(S)cc1
InChIInChI=1S/C15H17NOS2/c1-11(14-4-3-9-19-14)16(2)15(17)10-12-5-7-13(18)8-6-12/h3-9,11,18H,10H2,1-2H3
InChIKeyJBCDCLVFVZJFGN-UHFFFAOYSA-N
XLogP3.80
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.80
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

N-methyl-4-sulfanyl-N-(1-thiophen-2-ylethyl)benzamide
CID 107025969
N-methyl-2-(4-piperidin-1-ylsulfonylphenyl)-N-(1-thiophen-2-ylethyl)acetamide
CID 55452056
2-(2-aminophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide
CID 61109028
1-[methyl(1-thiophen-2-ylethyl)amino]-3-phenylpropan-2-one
CID 62051873
methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate
CID 115575425
3-amino-N,2-dimethyl-N-(1-thiophen-2-ylethyl)propanamide
CID 62668726
2-amino-N-methyl-2-thiophen-2-yl-N-(1-thiophen-2-ylethyl)acetamide
CID 115286728
(2R)-2-amino-N-methyl-N-(1-thiophen-2-ylethyl)propanamide;hydrochloride
CID 119291307
3-(2-aminophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)propanamide;hydrochloride
CID 120609150
2-(azetidin-3-yl)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide
CID 64610778
N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-thiophen-2-ylacetamide
CID 54913397
4-[methyl(1-thiophen-2-ylethyl)amino]pentan-2-one
CID 64696669

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-sulfanylphenyl)-N-(1-thiophen-2-ylethyl)acetamide?
The IUPAC name of N-methyl-2-(4-sulfanylphenyl)-N-(1-thiophen-2-ylethyl)acetamide (CID 107025959) is N-methyl-2-(4-sulfanylphenyl)-N-(1-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for N-methyl-2-(4-sulfanylphenyl)-N-(1-thiophen-2-ylethyl)acetamide?
The canonical SMILES for N-methyl-2-(4-sulfanylphenyl)-N-(1-thiophen-2-ylethyl)acetamide is CC(c1cccs1)N(C)C(=O)Cc1ccc(S)cc1.
What is the InChIKey of N-methyl-2-(4-sulfanylphenyl)-N-(1-thiophen-2-ylethyl)acetamide?
The InChIKey is JBCDCLVFVZJFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS2/c1-11(14-4-3-9-19-14)16(2)15(17)10-12-5-7-13(18)8-6-12/h3-9,11,18H,10H2,1-2H3.
What are the key properties of N-methyl-2-(4-sulfanylphenyl)-N-(1-thiophen-2-ylethyl)acetamide?
N-methyl-2-(4-sulfanylphenyl)-N-(1-thiophen-2-ylethyl)acetamide has a molecular weight of 291.44 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-sulfanylphenyl)-N-(1-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 107025959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).