N-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide

C29H37N3O2S — CID 67348424

IUPACN-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide
SMILESCC(=O)N(c1ccc(Oc2ccccc2)cc1)C1CS/C(=N\C2CCCCC2)N1C1CCCCC1
InChIInChI=1S/C29H37N3O2S/c1-22(33)31(25-17-19-27(20-18-25)34-26-15-9-4-10-16-26)28-21-35-29(30-23-11-5-2-6-12-23)32(28)24-13-7-3-8-14-24/h4,9-10,15-20,23-24,28H,2-3,5-8,11-14,21H2,1H3/b30-29-
InChIKeyVQOQSRJDBWZGPW-FLWNBWAVSA-N
MW491.70 g/mol
LogP7.23
Rot. Bonds6

About N-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide

N-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide (PubChem CID 67348424) has the molecular formula C29H37N3O2S and a molecular weight of 491.70 g/mol. Its IUPAC name is N-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide
PubChem CID67348424
Molecular FormulaC29H37N3O2S
Molecular Weight491.70 g/mol
Exact Mass491.26
IUPAC NameN-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide
SMILESCC(=O)N(c1ccc(Oc2ccccc2)cc1)C1CS/C(=N\C2CCCCC2)N1C1CCCCC1
InChIInChI=1S/C29H37N3O2S/c1-22(33)31(25-17-19-27(20-18-25)34-26-15-9-4-10-16-26)28-21-35-29(30-23-11-5-2-6-12-23)32(28)24-13-7-3-8-14-24/h4,9-10,15-20,23-24,28H,2-3,5-8,11-14,21H2,1H3/b30-29-
InChIKeyVQOQSRJDBWZGPW-FLWNBWAVSA-N
XLogP7.23
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.70
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[(Z)-4-Ethoxy-phenylimino]-3-ethyl-thiazolidin-4-one
CID 3148581
3-(4-Methoxyphenyl)-2-(4-methoxyphenyl)imino-4-thiazolidinone
CID 1241395
2-(Ethylimino)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 1285995
3-(4-Methoxyphenyl)-2,4-dihydrothiazolo[3,2-a][1,3,5]triazin-6-one
CID 1389352
6-Amino-1-(4-methoxyphenyl)-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-1,4-dihydropyrimidin-4-one
CID 16832763
2-{[3-(4-ethoxyphenyl)-7-oxo-2-thioxo-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]thio}-N,N-dipropylacetamide
CID 135472741
2-[3-(4-Ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-azaethanenitrile
CID 1269285
2-[6-amino-1-(4-methoxyphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-cyclohexylacetamide
CID 7162165
3-(4-ethoxyphenyl)-5-(methylthio)-6-phenyl-2-thioxo-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
CID 3434376
N-butan-2-yl-2-[[3-(4-ethoxyphenyl)-7-oxo-2-sulfanylidene-4H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide
CID 135456403
N-butyl-2-{[3-(4-ethoxyphenyl)-7-oxo-2-thioxo-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]thio}-N-ethylacetamide
CID 135472766
N-methyl-2-[3-methyl-2-(4-phenoxyphenyl)imino-1,3-thiazol-4-yl]-N-phenylacetamide
CID 44452793

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of N-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide (CID 67348424) is N-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for N-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for N-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide is CC(=O)N(c1ccc(Oc2ccccc2)cc1)C1CS/C(=N\C2CCCCC2)N1C1CCCCC1.
What is the InChIKey of N-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide?
The InChIKey is VQOQSRJDBWZGPW-FLWNBWAVSA-N. The full InChI is InChI=1S/C29H37N3O2S/c1-22(33)31(25-17-19-27(20-18-25)34-26-15-9-4-10-16-26)28-21-35-29(30-23-11-5-2-6-12-23)32(28)24-13-7-3-8-14-24/h4,9-10,15-20,23-24,28H,2-3,5-8,11-14,21H2,1H3/b30-29-.
What are the key properties of N-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide?
N-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide has a molecular weight of 491.70 g/mol, XLogP of 7.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 67348424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).