(2S,4S)-3-benzoyl-2-cyclohexyl-N-pentyl-1,3-thiazolidine-4-carboxamide

C22H32N2O2S — CID 7355982

IUPAC(2S,4S)-3-benzoyl-2-cyclohexyl-N-pentyl-1,3-thiazolidine-4-carboxamide
SMILESCCCCCNC(=O)[C@H]1CS[C@@H](C2CCCCC2)N1C(=O)c1ccccc1
InChIInChI=1S/C22H32N2O2S/c1-2-3-10-15-23-20(25)19-16-27-22(18-13-8-5-9-14-18)24(19)21(26)17-11-6-4-7-12-17/h4,6-7,11-12,18-19,22H,2-3,5,8-10,13-16H2,1H3,(H,23,25)/t19-,22+/m1/s1
InChIKeyYYSGGOMSWAYNCG-KNQAVFIVSA-N
MW388.58 g/mol
LogP4.46
Rot. Bonds7

About (2S,4S)-3-benzoyl-2-cyclohexyl-N-pentyl-1,3-thiazolidine-4-carboxamide

(2S,4S)-3-benzoyl-2-cyclohexyl-N-pentyl-1,3-thiazolidine-4-carboxamide (PubChem CID 7355982) has the molecular formula C22H32N2O2S and a molecular weight of 388.58 g/mol. Its IUPAC name is (2S,4S)-3-benzoyl-2-cyclohexyl-N-pentyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-3-benzoyl-2-cyclohexyl-N-pentyl-1,3-thiazolidine-4-carboxamide
PubChem CID7355982
Molecular FormulaC22H32N2O2S
Molecular Weight388.58 g/mol
Exact Mass388.22
IUPAC Name(2S,4S)-3-benzoyl-2-cyclohexyl-N-pentyl-1,3-thiazolidine-4-carboxamide
SMILESCCCCCNC(=O)[C@H]1CS[C@@H](C2CCCCC2)N1C(=O)c1ccccc1
InChIInChI=1S/C22H32N2O2S/c1-2-3-10-15-23-20(25)19-16-27-22(18-13-8-5-9-14-18)24(19)21(26)17-11-6-4-7-12-17/h4,6-7,11-12,18-19,22H,2-3,5,8-10,13-16H2,1H3,(H,23,25)/t19-,22+/m1/s1
InChIKeyYYSGGOMSWAYNCG-KNQAVFIVSA-N
XLogP4.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.58
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,4R)-3-benzoyl-2-cyclohexyl-N-[(2R)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 7216276
(2R,4S)-3-benzoyl-2-cyclohexyl-N-[(4-fluorophenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 1198786
3-(4-chlorobenzoyl)-2-cyclohexyl-N-(3-methoxypropyl)-1,3-thiazolidine-4-carboxamide
CID 42744147
2-cyclohexyl-3-(4-methylbenzoyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide
CID 42744153
2-cyclohexyl-3-(4-fluorobenzoyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide
CID 5137356
1-benzoyl-N-[3-(methylamino)propyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide;hydrochloride
CID 119431726
N-(3-aminopropyl)-1-benzoyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide;hydrochloride
CID 119406820
2-cyclohexyl-3-(4-methylbenzoyl)-N-propan-2-yl-1,3-thiazolidine-4-carboxamide
CID 3334688
butyl 3-(4-chlorobenzoyl)-2-cyclohexyl-1,3-thiazolidine-4-carboxylate
CID 42729805
(2R,4R)-3-(2-chlorobenzoyl)-2-cyclohexyl-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 1198821
(2S,4R)-2-(4-fluorophenyl)-N-hexyl-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 7288637
3-(4-chlorobenzoyl)-2-cyclohexyl-N-(furan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42744137

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-3-benzoyl-2-cyclohexyl-N-pentyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (2S,4S)-3-benzoyl-2-cyclohexyl-N-pentyl-1,3-thiazolidine-4-carboxamide (CID 7355982) is (2S,4S)-3-benzoyl-2-cyclohexyl-N-pentyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-3-benzoyl-2-cyclohexyl-N-pentyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (2S,4S)-3-benzoyl-2-cyclohexyl-N-pentyl-1,3-thiazolidine-4-carboxamide is CCCCCNC(=O)[C@H]1CS[C@@H](C2CCCCC2)N1C(=O)c1ccccc1.
What is the InChIKey of (2S,4S)-3-benzoyl-2-cyclohexyl-N-pentyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is YYSGGOMSWAYNCG-KNQAVFIVSA-N. The full InChI is InChI=1S/C22H32N2O2S/c1-2-3-10-15-23-20(25)19-16-27-22(18-13-8-5-9-14-18)24(19)21(26)17-11-6-4-7-12-17/h4,6-7,11-12,18-19,22H,2-3,5,8-10,13-16H2,1H3,(H,23,25)/t19-,22+/m1/s1.
What are the key properties of (2S,4S)-3-benzoyl-2-cyclohexyl-N-pentyl-1,3-thiazolidine-4-carboxamide?
(2S,4S)-3-benzoyl-2-cyclohexyl-N-pentyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 388.58 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-3-benzoyl-2-cyclohexyl-N-pentyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 7355982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).