N-(1-cyclohexyl-1,2-diphenyl-1,2-thiazolidin-3-ylidene)-4-methylbenzenesulfonamide

C28H32N2O2S2 — CID 66867796

IUPACN-(1-cyclohexyl-1,2-diphenyl-1,2-thiazolidin-3-ylidene)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=C2CCS(c3ccccc3)(C3CCCCC3)N2c2ccccc2)cc1
InChIInChI=1S/C28H32N2O2S2/c1-23-17-19-27(20-18-23)34(31,32)29-28-21-22-33(25-13-7-3-8-14-25,26-15-9-4-10-16-26)30(28)24-11-5-2-6-12-24/h2-3,5-8,11-14,17-20,26H,4,9-10,15-16,21-22H2,1H3
InChIKeyQZCAVNACWKBDGI-UHFFFAOYSA-N
MW492.71 g/mol
LogP7.10
Rot. Bonds5

About N-(1-cyclohexyl-1,2-diphenyl-1,2-thiazolidin-3-ylidene)-4-methylbenzenesulfonamide

N-(1-cyclohexyl-1,2-diphenyl-1,2-thiazolidin-3-ylidene)-4-methylbenzenesulfonamide (PubChem CID 66867796) has the molecular formula C28H32N2O2S2 and a molecular weight of 492.71 g/mol. Its IUPAC name is N-(1-cyclohexyl-1,2-diphenyl-1,2-thiazolidin-3-ylidene)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-cyclohexyl-1,2-diphenyl-1,2-thiazolidin-3-ylidene)-4-methylbenzenesulfonamide
PubChem CID66867796
Molecular FormulaC28H32N2O2S2
Molecular Weight492.71 g/mol
Exact Mass492.19
IUPAC NameN-(1-cyclohexyl-1,2-diphenyl-1,2-thiazolidin-3-ylidene)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=C2CCS(c3ccccc3)(C3CCCCC3)N2c2ccccc2)cc1
InChIInChI=1S/C28H32N2O2S2/c1-23-17-19-27(20-18-23)34(31,32)29-28-21-22-33(25-13-7-3-8-14-25,26-15-9-4-10-16-26)30(28)24-11-5-2-6-12-24/h2-3,5-8,11-14,17-20,26H,4,9-10,15-16,21-22H2,1H3
InChIKeyQZCAVNACWKBDGI-UHFFFAOYSA-N
XLogP7.10
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.71
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyl-1,2-diphenyl-1,2-thiazolidin-3-ylidene)-4-methylbenzenesulfonamide?
The IUPAC name of N-(1-cyclohexyl-1,2-diphenyl-1,2-thiazolidin-3-ylidene)-4-methylbenzenesulfonamide (CID 66867796) is N-(1-cyclohexyl-1,2-diphenyl-1,2-thiazolidin-3-ylidene)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-cyclohexyl-1,2-diphenyl-1,2-thiazolidin-3-ylidene)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(1-cyclohexyl-1,2-diphenyl-1,2-thiazolidin-3-ylidene)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N=C2CCS(c3ccccc3)(C3CCCCC3)N2c2ccccc2)cc1.
What is the InChIKey of N-(1-cyclohexyl-1,2-diphenyl-1,2-thiazolidin-3-ylidene)-4-methylbenzenesulfonamide?
The InChIKey is QZCAVNACWKBDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O2S2/c1-23-17-19-27(20-18-23)34(31,32)29-28-21-22-33(25-13-7-3-8-14-25,26-15-9-4-10-16-26)30(28)24-11-5-2-6-12-24/h2-3,5-8,11-14,17-20,26H,4,9-10,15-16,21-22H2,1H3.
What are the key properties of N-(1-cyclohexyl-1,2-diphenyl-1,2-thiazolidin-3-ylidene)-4-methylbenzenesulfonamide?
N-(1-cyclohexyl-1,2-diphenyl-1,2-thiazolidin-3-ylidene)-4-methylbenzenesulfonamide has a molecular weight of 492.71 g/mol, XLogP of 7.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexyl-1,2-diphenyl-1,2-thiazolidin-3-ylidene)-4-methylbenzenesulfonamide is sourced from PubChem (CID 66867796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).