2-methyl-N-[4-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide

C26H23N3O2S2 — CID 19711931

IUPAC2-methyl-N-[4-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccc(SCC(=O)Nc2nc(-c3ccccc3)c(C)s2)cc1
InChIInChI=1S/C26H23N3O2S2/c1-17-8-6-7-11-22(17)25(31)27-20-12-14-21(15-13-20)32-16-23(30)28-26-29-24(18(2)33-26)19-9-4-3-5-10-19/h3-15H,16H2,1-2H3,(H,27,31)(H,28,29,30)
InChIKeyRNRYZLSBDWTRGQ-UHFFFAOYSA-N
MW473.62 g/mol
LogP6.41
Rot. Bonds7

About 2-methyl-N-[4-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide

2-methyl-N-[4-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide (PubChem CID 19711931) has the molecular formula C26H23N3O2S2 and a molecular weight of 473.62 g/mol. Its IUPAC name is 2-methyl-N-[4-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[4-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide
PubChem CID19711931
Molecular FormulaC26H23N3O2S2
Molecular Weight473.62 g/mol
Exact Mass473.12
IUPAC Name2-methyl-N-[4-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccc(SCC(=O)Nc2nc(-c3ccccc3)c(C)s2)cc1
InChIInChI=1S/C26H23N3O2S2/c1-17-8-6-7-11-22(17)25(31)27-20-12-14-21(15-13-20)32-16-23(30)28-26-29-24(18(2)33-26)19-9-4-3-5-10-19/h3-15H,16H2,1-2H3,(H,27,31)(H,28,29,30)
InChIKeyRNRYZLSBDWTRGQ-UHFFFAOYSA-N
XLogP6.41
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.62
LogP ≤ 56.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[4-[1-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]benzamide
CID 19711913
N-[4-[2-[[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 19712256
2-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 1333647
N-[4-[2-(4-chloroanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide
CID 22775717
N-[4-[2-(4-acetylanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide
CID 22777041
2-methyl-N-[3-[1-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]benzamide
CID 18900370
N-[(Z)-3-[4-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylanilino]-1-(2-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 22191538
N,N'-bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanediamide
CID 3493678
N-[4-[2-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide
CID 19711921
N-[4-[2-(2-chloroanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide
CID 22775724
N-[(Z)-1-(3,4-dimethoxyphenyl)-3-[4-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylanilino]-3-oxoprop-1-en-2-yl]benzamide
CID 22191916
N-[4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide
CID 22775889

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide?
The IUPAC name of 2-methyl-N-[4-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide (CID 19711931) is 2-methyl-N-[4-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide.
What is the SMILES notation for 2-methyl-N-[4-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide?
The canonical SMILES for 2-methyl-N-[4-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide is Cc1ccccc1C(=O)Nc1ccc(SCC(=O)Nc2nc(-c3ccccc3)c(C)s2)cc1.
What is the InChIKey of 2-methyl-N-[4-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide?
The InChIKey is RNRYZLSBDWTRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2S2/c1-17-8-6-7-11-22(17)25(31)27-20-12-14-21(15-13-20)32-16-23(30)28-26-29-24(18(2)33-26)19-9-4-3-5-10-19/h3-15H,16H2,1-2H3,(H,27,31)(H,28,29,30).
What are the key properties of 2-methyl-N-[4-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide?
2-methyl-N-[4-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide has a molecular weight of 473.62 g/mol, XLogP of 6.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide is sourced from PubChem (CID 19711931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).