2-benzyl-3-sulfanyl-N-(4-thiophen-2-ylphenyl)propanamide

C20H19NOS2 — CID 87951619

IUPAC2-benzyl-3-sulfanyl-N-(4-thiophen-2-ylphenyl)propanamide
SMILESO=C(Nc1ccc(-c2cccs2)cc1)C(CS)Cc1ccccc1
InChIInChI=1S/C20H19NOS2/c22-20(17(14-23)13-15-5-2-1-3-6-15)21-18-10-8-16(9-11-18)19-7-4-12-24-19/h1-12,17,23H,13-14H2,(H,21,22)
InChIKeyDDUGCVBAEWNKIB-UHFFFAOYSA-N
MW353.51 g/mol
LogP5.14
Rot. Bonds6

About 2-benzyl-3-sulfanyl-N-(4-thiophen-2-ylphenyl)propanamide

2-benzyl-3-sulfanyl-N-(4-thiophen-2-ylphenyl)propanamide (PubChem CID 87951619) has the molecular formula C20H19NOS2 and a molecular weight of 353.51 g/mol. Its IUPAC name is 2-benzyl-3-sulfanyl-N-(4-thiophen-2-ylphenyl)propanamide.

Molecular Properties

Compound Name2-benzyl-3-sulfanyl-N-(4-thiophen-2-ylphenyl)propanamide
PubChem CID87951619
Molecular FormulaC20H19NOS2
Molecular Weight353.51 g/mol
Exact Mass353.09
IUPAC Name2-benzyl-3-sulfanyl-N-(4-thiophen-2-ylphenyl)propanamide
SMILESO=C(Nc1ccc(-c2cccs2)cc1)C(CS)Cc1ccccc1
InChIInChI=1S/C20H19NOS2/c22-20(17(14-23)13-15-5-2-1-3-6-15)21-18-10-8-16(9-11-18)19-7-4-12-24-19/h1-12,17,23H,13-14H2,(H,21,22)
InChIKeyDDUGCVBAEWNKIB-UHFFFAOYSA-N
XLogP5.14
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.51
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-benzyl-3-sulfanyl-N-(4-thiophen-2-ylphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzyl-N-(4-pyridin-2-ylphenyl)-3-sulfanylpropanamide
CID 87951837
4-[(2-benzyl-3-sulfanylpropanoyl)amino]benzamide
CID 19842346
2-benzyl-N-(4-methoxyphenyl)-3-sulfanylpropanamide
CID 19904478
4-anilino-3-benzyl-4-oxobutanoic acid
CID 2909283
methyl (2S)-3-phenyl-2-(4-thiophen-2-ylphenoxy)propanoate
CID 11151915
3-[(2-benzyl-3-sulfanylpropanoyl)amino]-2-methylbenzoic acid
CID 15670155
4-[[2-[(4-methylphenyl)methyl]-3-sulfanylpropanoyl]amino]benzenesulfonic acid
CID 15120735
N-benzyl-4-thiophen-2-ylbenzamide
CID 3677900
sodium 4-[[2-[(4-methylphenyl)methyl]-3-sulfanylpropanoyl]amino]benzenesulfonate
CID 23701624
2-[5-[[(2S)-2-benzyl-3-sulfanylpropanoyl]amino]tetrazol-2-yl]acetic acid
CID 54465040
N-[(2S)-1-anilino-1-oxo-3-phenylpropan-2-yl]-4-phenyl-2-(sulfanylmethyl)butanamide
CID 87988780
(2S)-2-benzyl-4-hydrazinyl-N-(4-methylphenyl)-4-oxobutanamide
CID 6940527

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-sulfanyl-N-(4-thiophen-2-ylphenyl)propanamide?
The IUPAC name of 2-benzyl-3-sulfanyl-N-(4-thiophen-2-ylphenyl)propanamide (CID 87951619) is 2-benzyl-3-sulfanyl-N-(4-thiophen-2-ylphenyl)propanamide.
What is the SMILES notation for 2-benzyl-3-sulfanyl-N-(4-thiophen-2-ylphenyl)propanamide?
The canonical SMILES for 2-benzyl-3-sulfanyl-N-(4-thiophen-2-ylphenyl)propanamide is O=C(Nc1ccc(-c2cccs2)cc1)C(CS)Cc1ccccc1.
What is the InChIKey of 2-benzyl-3-sulfanyl-N-(4-thiophen-2-ylphenyl)propanamide?
The InChIKey is DDUGCVBAEWNKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NOS2/c22-20(17(14-23)13-15-5-2-1-3-6-15)21-18-10-8-16(9-11-18)19-7-4-12-24-19/h1-12,17,23H,13-14H2,(H,21,22).
What are the key properties of 2-benzyl-3-sulfanyl-N-(4-thiophen-2-ylphenyl)propanamide?
2-benzyl-3-sulfanyl-N-(4-thiophen-2-ylphenyl)propanamide has a molecular weight of 353.51 g/mol, XLogP of 5.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-sulfanyl-N-(4-thiophen-2-ylphenyl)propanamide is sourced from PubChem (CID 87951619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).