N-phenyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide

C19H18N2O2S2 — CID 56808130

IUPACN-phenyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide
SMILESCC(C(=O)Nc1ccccc1)S(=O)Cc1csc(-c2ccccc2)n1
InChIInChI=1S/C19H18N2O2S2/c1-14(18(22)20-16-10-6-3-7-11-16)25(23)13-17-12-24-19(21-17)15-8-4-2-5-9-15/h2-12,14H,13H2,1H3,(H,20,22)
InChIKeyXFBHGVJKQAIWNP-UHFFFAOYSA-N
MW370.50 g/mol
LogP4.09
Rot. Bonds6

About N-phenyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide

N-phenyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide (PubChem CID 56808130) has the molecular formula C19H18N2O2S2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-phenyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide.

Molecular Properties

Compound NameN-phenyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide
PubChem CID56808130
Molecular FormulaC19H18N2O2S2
Molecular Weight370.50 g/mol
Exact Mass370.08
IUPAC NameN-phenyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide
SMILESCC(C(=O)Nc1ccccc1)S(=O)Cc1csc(-c2ccccc2)n1
InChIInChI=1S/C19H18N2O2S2/c1-14(18(22)20-16-10-6-3-7-11-16)25(23)13-17-12-24-19(21-17)15-8-4-2-5-9-15/h2-12,14H,13H2,1H3,(H,20,22)
InChIKeyXFBHGVJKQAIWNP-UHFFFAOYSA-N
XLogP4.09
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-phenyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]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

N-(2-fluorophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide
CID 56808134
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(S)-(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide
CID 95571839
N-tert-butyl-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfinyl]propanamide
CID 56808147
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(S)-[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfinyl]propanamide
CID 95571915
(2S)-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]-N-phenylpropanamide
CID 51936036
[1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] 2-(2-phenyl-1,3-thiazol-4-yl)acetate
CID 55359013
2-[(2-fluorophenyl)methylsulfinyl]-N-phenylpropanamide
CID 123099889
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-phenyl-1,3-thiazole-4-carboxylate
CID 9310461
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfinyl]propanamide
CID 60606136
1-(2-phenyl-1,3-thiazol-4-yl)propan-2-ol
CID 115089425
(2R)-2-[(S)-(3-fluorophenyl)methylsulfinyl]-N-phenylpropanamide
CID 95332151
(2S)-2-methylsulfonyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 97030329

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide?
The IUPAC name of N-phenyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide (CID 56808130) is N-phenyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide.
What is the SMILES notation for N-phenyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide?
The canonical SMILES for N-phenyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide is CC(C(=O)Nc1ccccc1)S(=O)Cc1csc(-c2ccccc2)n1.
What is the InChIKey of N-phenyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide?
The InChIKey is XFBHGVJKQAIWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S2/c1-14(18(22)20-16-10-6-3-7-11-16)25(23)13-17-12-24-19(21-17)15-8-4-2-5-9-15/h2-12,14H,13H2,1H3,(H,20,22).
What are the key properties of N-phenyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide?
N-phenyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide has a molecular weight of 370.50 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide is sourced from PubChem (CID 56808130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).