3-(4-methylphenyl)sulfanyl-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]propanamide

C28H28N2OS2 — CID 44994114

IUPAC3-(4-methylphenyl)sulfanyl-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]propanamide
SMILESCCCc1sc(NC(=O)CCSc2ccc(C)cc2)nc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H28N2OS2/c1-3-7-25-27(23-14-12-22(13-15-23)21-8-5-4-6-9-21)30-28(33-25)29-26(31)18-19-32-24-16-10-20(2)11-17-24/h4-6,8-17H,3,7,18-19H2,1-2H3,(H,29,30,31)
InChIKeyFOVJDTGYVNBBTL-UHFFFAOYSA-N
MW472.68 g/mol
LogP7.86
Rot. Bonds9

About 3-(4-methylphenyl)sulfanyl-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]propanamide

3-(4-methylphenyl)sulfanyl-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]propanamide (PubChem CID 44994114) has the molecular formula C28H28N2OS2 and a molecular weight of 472.68 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfanyl-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfanyl-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]propanamide
PubChem CID44994114
Molecular FormulaC28H28N2OS2
Molecular Weight472.68 g/mol
Exact Mass472.16
IUPAC Name3-(4-methylphenyl)sulfanyl-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]propanamide
SMILESCCCc1sc(NC(=O)CCSc2ccc(C)cc2)nc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H28N2OS2/c1-3-7-25-27(23-14-12-22(13-15-23)21-8-5-4-6-9-21)30-28(33-25)29-26(31)18-19-32-24-16-10-20(2)11-17-24/h4-6,8-17H,3,7,18-19H2,1-2H3,(H,29,30,31)
InChIKeyFOVJDTGYVNBBTL-UHFFFAOYSA-N
XLogP7.86
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.68
LogP ≤ 57.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenoxy-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]acetamide
CID 3568889
N-[4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxo-4-phenylbutanamide
CID 126204500
4-methyl-N-[4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide
CID 1338053
4-(4-tert-butylphenyl)-N-[4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxobutanamide
CID 11840384
N-benzo[g][1,3]benzothiazol-2-yl-3-(4-methylphenyl)sulfanylpropanamide
CID 8609498
4-tert-butyl-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide
CID 4061770
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 44994230
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-(4-chlorophenyl)sulfanylbutanamide
CID 41272183
3-(4-methylphenyl)sulfanyl-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]propanamide
CID 7254576
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-methylphenyl)sulfanylacetamide
CID 41151832
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanylpropanamide
CID 7545480
N,N'-bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanediamide
CID 3493678

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfanyl-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-(4-methylphenyl)sulfanyl-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]propanamide (CID 44994114) is 3-(4-methylphenyl)sulfanyl-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-(4-methylphenyl)sulfanyl-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-(4-methylphenyl)sulfanyl-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]propanamide is CCCc1sc(NC(=O)CCSc2ccc(C)cc2)nc1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfanyl-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]propanamide?
The InChIKey is FOVJDTGYVNBBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2OS2/c1-3-7-25-27(23-14-12-22(13-15-23)21-8-5-4-6-9-21)30-28(33-25)29-26(31)18-19-32-24-16-10-20(2)11-17-24/h4-6,8-17H,3,7,18-19H2,1-2H3,(H,29,30,31).
What are the key properties of 3-(4-methylphenyl)sulfanyl-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]propanamide?
3-(4-methylphenyl)sulfanyl-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]propanamide has a molecular weight of 472.68 g/mol, XLogP of 7.86, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfanyl-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 44994114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).