N,2-dicyclohexyl-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide

C24H34N2O2S — CID 42744161

IUPACN,2-dicyclohexyl-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1ccccc1C(=O)N1C(C(=O)NC2CCCCC2)CSC1C1CCCCC1
InChIInChI=1S/C24H34N2O2S/c1-17-10-8-9-15-20(17)23(28)26-21(22(27)25-19-13-6-3-7-14-19)16-29-24(26)18-11-4-2-5-12-18/h8-10,15,18-19,21,24H,2-7,11-14,16H2,1H3,(H,25,27)
InChIKeyCKWQAYFFNHGXHE-UHFFFAOYSA-N
MW414.62 g/mol
LogP4.91
Rot. Bonds4

About N,2-dicyclohexyl-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide

N,2-dicyclohexyl-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42744161) has the molecular formula C24H34N2O2S and a molecular weight of 414.62 g/mol. Its IUPAC name is N,2-dicyclohexyl-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN,2-dicyclohexyl-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
PubChem CID42744161
Molecular FormulaC24H34N2O2S
Molecular Weight414.62 g/mol
Exact Mass414.23
IUPAC NameN,2-dicyclohexyl-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1ccccc1C(=O)N1C(C(=O)NC2CCCCC2)CSC1C1CCCCC1
InChIInChI=1S/C24H34N2O2S/c1-17-10-8-9-15-20(17)23(28)26-21(22(27)25-19-13-6-3-7-14-19)16-29-24(26)18-11-4-2-5-12-18/h8-10,15,18-19,21,24H,2-7,11-14,16H2,1H3,(H,25,27)
InChIKeyCKWQAYFFNHGXHE-UHFFFAOYSA-N
XLogP4.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.62
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-3-(2-methylbenzoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 3548815
2-cyclohexyl-N-(1,2-diphenylethyl)-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42744164
3-(4-chlorobenzoyl)-2-cyclohexyl-N-cyclopropyl-1,3-thiazolidine-4-carboxamide
CID 42744142
(2R,4S)-3-acetyl-N-cyclohexyl-2-phenyl-1,3-thiazolidine-4-carboxamide
CID 809786
(2R,4R)-3-(2-chlorobenzoyl)-2-cyclohexyl-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 1198821
N-cyclopropyl-1-(2-methylbenzoyl)pyrrolidine-2-carboxamide
CID 47158357
N-[1-(2-methylbenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 51096408
(2R,4R)-3-acetyl-N-cyclopentyl-2-(2-hydroxyphenyl)-1,3-thiazolidine-4-carboxamide
CID 7323775
(2R,4R)-3-benzoyl-2-cyclohexyl-N-[(2R)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 7216276
2-cyclopropyl-3-(2-hydroxy-3-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63781785
(2R)-N-cyclohexyl-1-[3-[(2-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide
CID 92728157
N-[1-(2-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide
CID 110820253

Frequently Asked Questions

What is the IUPAC name of N,2-dicyclohexyl-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N,2-dicyclohexyl-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide (CID 42744161) is N,2-dicyclohexyl-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N,2-dicyclohexyl-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N,2-dicyclohexyl-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide is Cc1ccccc1C(=O)N1C(C(=O)NC2CCCCC2)CSC1C1CCCCC1.
What is the InChIKey of N,2-dicyclohexyl-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is CKWQAYFFNHGXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O2S/c1-17-10-8-9-15-20(17)23(28)26-21(22(27)25-19-13-6-3-7-14-19)16-29-24(26)18-11-4-2-5-12-18/h8-10,15,18-19,21,24H,2-7,11-14,16H2,1H3,(H,25,27).
What are the key properties of N,2-dicyclohexyl-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide?
N,2-dicyclohexyl-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 414.62 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dicyclohexyl-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42744161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).