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

C23H23N3O2S2 — CID 46581107

IUPACN-cyclopropyl-3-[[2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetyl]amino]benzamide
SMILESCc1ccc(-c2nc(CSCC(=O)Nc3cccc(C(=O)NC4CC4)c3)cs2)cc1
InChIInChI=1S/C23H23N3O2S2/c1-15-5-7-16(8-6-15)23-26-20(13-30-23)12-29-14-21(27)24-19-4-2-3-17(11-19)22(28)25-18-9-10-18/h2-8,11,13,18H,9-10,12,14H2,1H3,(H,24,27)(H,25,28)
InChIKeyXSNAGSRJCBKZOZ-UHFFFAOYSA-N
MW437.59 g/mol
LogP4.88
Rot. Bonds8

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

N-cyclopropyl-3-[[2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetyl]amino]benzamide (PubChem CID 46581107) has the molecular formula C23H23N3O2S2 and a molecular weight of 437.59 g/mol. Its IUPAC name is N-cyclopropyl-3-[[2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetyl]amino]benzamide
PubChem CID46581107
Molecular FormulaC23H23N3O2S2
Molecular Weight437.59 g/mol
Exact Mass437.12
IUPAC NameN-cyclopropyl-3-[[2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetyl]amino]benzamide
SMILESCc1ccc(-c2nc(CSCC(=O)Nc3cccc(C(=O)NC4CC4)c3)cs2)cc1
InChIInChI=1S/C23H23N3O2S2/c1-15-5-7-16(8-6-15)23-26-20(13-30-23)12-29-14-21(27)24-19-4-2-3-17(11-19)22(28)25-18-9-10-18/h2-8,11,13,18H,9-10,12,14H2,1H3,(H,24,27)(H,25,28)
InChIKeyXSNAGSRJCBKZOZ-UHFFFAOYSA-N
XLogP4.88
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-3-[[2-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetyl]amino]benzamide
CID 38630767
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
2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 46581013
N-cyclopropyl-3-[3-(4-methylphenyl)propanoylamino]benzamide
CID 18121849
N-[3-(cyclopropylcarbamoyl)phenyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 9361287
N-(3-cyanophenyl)-2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
CID 38628754
N-cyclopropyl-3-[(4-methylphenyl)methylcarbamoylamino]benzamide
CID 47033154
N-cyclopropyl-3-[(2-phenylsulfanylacetyl)amino]benzamide
CID 27447667
N-[3-(cyclopropylcarbamoyl)phenyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 24506420
N-(3-chlorophenyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 8777109
N-[3-(cyclopropylcarbamoyl)phenyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
CID 55698997

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-3-[[2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetyl]amino]benzamide (CID 46581107) is N-cyclopropyl-3-[[2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[[2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-3-[[2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetyl]amino]benzamide is Cc1ccc(-c2nc(CSCC(=O)Nc3cccc(C(=O)NC4CC4)c3)cs2)cc1.
What is the InChIKey of N-cyclopropyl-3-[[2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetyl]amino]benzamide?
The InChIKey is XSNAGSRJCBKZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S2/c1-15-5-7-16(8-6-15)23-26-20(13-30-23)12-29-14-21(27)24-19-4-2-3-17(11-19)22(28)25-18-9-10-18/h2-8,11,13,18H,9-10,12,14H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N-cyclopropyl-3-[[2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetyl]amino]benzamide?
N-cyclopropyl-3-[[2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetyl]amino]benzamide has a molecular weight of 437.59 g/mol, XLogP of 4.88, 8 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-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetyl]amino]benzamide is sourced from PubChem (CID 46581107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).