N-methyl-3-phenyl-2-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide

C16H19NOS2 — CID 107032185

IUPACN-methyl-3-phenyl-2-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide
SMILESCN(CCc1cccs1)C(=O)C(S)Cc1ccccc1
InChIInChI=1S/C16H19NOS2/c1-17(10-9-14-8-5-11-20-14)16(18)15(19)12-13-6-3-2-4-7-13/h2-8,11,15,19H,9-10,12H2,1H3
InChIKeyFNNGGNGUGNSRIY-UHFFFAOYSA-N
MW305.47 g/mol
LogP3.29
Rot. Bonds6

About N-methyl-3-phenyl-2-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide

N-methyl-3-phenyl-2-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide (PubChem CID 107032185) has the molecular formula C16H19NOS2 and a molecular weight of 305.47 g/mol. Its IUPAC name is N-methyl-3-phenyl-2-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide.

Molecular Properties

Compound NameN-methyl-3-phenyl-2-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide
PubChem CID107032185
Molecular FormulaC16H19NOS2
Molecular Weight305.47 g/mol
Exact Mass305.09
IUPAC NameN-methyl-3-phenyl-2-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide
SMILESCN(CCc1cccs1)C(=O)C(S)Cc1ccccc1
InChIInChI=1S/C16H19NOS2/c1-17(10-9-14-8-5-11-20-14)16(18)15(19)12-13-6-3-2-4-7-13/h2-8,11,15,19H,9-10,12H2,1H3
InChIKeyFNNGGNGUGNSRIY-UHFFFAOYSA-N
XLogP3.29
TPSA20.31 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 ≤ 53.29
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

(2R)-2-amino-N-methyl-3-phenyl-N-(2-thiophen-2-ylethyl)propanamide
CID 79494737
2-amino-N-methyl-2-phenyl-N-(2-thiophen-2-ylethyl)acetamide
CID 79494111
N-methyl-2-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide
CID 107032184
(2R,3R)-2,3-dihydroxy-N-methyl-N-(2-phenylethyl)-N'-(2-thiophen-2-ylethyl)butanediamide
CID 46230364
2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)butanamide
CID 79493734
N-[(4-bromophenyl)methyl]-N-methyl-3-phenyl-2-sulfanylpropanamide
CID 107024282
2-amino-3-methoxy-N-methyl-N-(2-thiophen-2-ylethyl)propanamide;hydrochloride
CID 120991220
N,2-dimethyl-3-(methylamino)-N-(2-thiophen-2-ylethyl)propanamide;hydrochloride
CID 119807079
2-cyano-N-methyl-N-(2-thiophen-2-ylethyl)butanamide
CID 79494761
2-amino-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pentanamide
CID 79494038
N-methyl-3-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide
CID 107032192
2-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79036837

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-phenyl-2-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide?
The IUPAC name of N-methyl-3-phenyl-2-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide (CID 107032185) is N-methyl-3-phenyl-2-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide.
What is the SMILES notation for N-methyl-3-phenyl-2-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide?
The canonical SMILES for N-methyl-3-phenyl-2-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide is CN(CCc1cccs1)C(=O)C(S)Cc1ccccc1.
What is the InChIKey of N-methyl-3-phenyl-2-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide?
The InChIKey is FNNGGNGUGNSRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS2/c1-17(10-9-14-8-5-11-20-14)16(18)15(19)12-13-6-3-2-4-7-13/h2-8,11,15,19H,9-10,12H2,1H3.
What are the key properties of N-methyl-3-phenyl-2-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide?
N-methyl-3-phenyl-2-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide has a molecular weight of 305.47 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-phenyl-2-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide is sourced from PubChem (CID 107032185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).