N-cyclopropyl-3-[[2-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetyl]amino]benzamide

C25H27N3O2S2 — CID 38630767

IUPACN-cyclopropyl-3-[[2-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetyl]amino]benzamide
SMILESCC(C)c1ccc(-c2nc(CSCC(=O)Nc3cccc(C(=O)NC4CC4)c3)cs2)cc1
InChIInChI=1S/C25H27N3O2S2/c1-16(2)17-6-8-18(9-7-17)25-28-22(14-32-25)13-31-15-23(29)26-21-5-3-4-19(12-21)24(30)27-20-10-11-20/h3-9,12,14,16,20H,10-11,13,15H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyLJZOHSTUIQQJOT-UHFFFAOYSA-N
MW465.64 g/mol
LogP5.70
Rot. Bonds9

About N-cyclopropyl-3-[[2-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetyl]amino]benzamide

N-cyclopropyl-3-[[2-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetyl]amino]benzamide (PubChem CID 38630767) has the molecular formula C25H27N3O2S2 and a molecular weight of 465.64 g/mol. Its IUPAC name is N-cyclopropyl-3-[[2-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[2-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetyl]amino]benzamide
PubChem CID38630767
Molecular FormulaC25H27N3O2S2
Molecular Weight465.64 g/mol
Exact Mass465.15
IUPAC NameN-cyclopropyl-3-[[2-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetyl]amino]benzamide
SMILESCC(C)c1ccc(-c2nc(CSCC(=O)Nc3cccc(C(=O)NC4CC4)c3)cs2)cc1
InChIInChI=1S/C25H27N3O2S2/c1-16(2)17-6-8-18(9-7-17)25-28-22(14-32-25)13-31-15-23(29)26-21-5-3-4-19(12-21)24(30)27-20-10-11-20/h3-9,12,14,16,20H,10-11,13,15H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyLJZOHSTUIQQJOT-UHFFFAOYSA-N
XLogP5.70
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.64
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-3-[[2-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetyl]amino]benzamide with MolForge

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Related Compounds

N-cyclopropyl-3-[[2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetyl]amino]benzamide
CID 46581107
N-(3-acetylphenyl)-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
CID 38627971
N-(3-bromophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
CID 99192094
N-[3-(cyclopropylcarbamoyl)phenyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 9361287
N-cyclopropyl-3-[(2-phenylsulfanylacetyl)amino]benzamide
CID 27447667
N-(3-cyanophenyl)-2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
CID 38628754
N-(2-methyl-6-propan-2-ylphenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
CID 55570763
2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 46581013
N-cyclopropyl-3-[[2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetyl]amino]benzamide
CID 43048679
3-[[2-[1-(4-chlorophenyl)ethyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide
CID 46573730
3-[[2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]acetyl]amino]-N-cyclopropylbenzamide
CID 17479561
N-cyclopropyl-3-[3-(4-methylphenyl)propanoylamino]benzamide
CID 18121849

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[2-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-3-[[2-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetyl]amino]benzamide (CID 38630767) is N-cyclopropyl-3-[[2-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[[2-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-3-[[2-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetyl]amino]benzamide is CC(C)c1ccc(-c2nc(CSCC(=O)Nc3cccc(C(=O)NC4CC4)c3)cs2)cc1.
What is the InChIKey of N-cyclopropyl-3-[[2-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetyl]amino]benzamide?
The InChIKey is LJZOHSTUIQQJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2S2/c1-16(2)17-6-8-18(9-7-17)25-28-22(14-32-25)13-31-15-23(29)26-21-5-3-4-19(12-21)24(30)27-20-10-11-20/h3-9,12,14,16,20H,10-11,13,15H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of N-cyclopropyl-3-[[2-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetyl]amino]benzamide?
N-cyclopropyl-3-[[2-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetyl]amino]benzamide has a molecular weight of 465.64 g/mol, XLogP of 5.70, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[2-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetyl]amino]benzamide is sourced from PubChem (CID 38630767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).