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

C24H30N2O2S — CID 3951099

IUPAC3-(2-methylbenzoyl)-2-(2-methylpropyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1ccccc1C(=O)N1C(CC(C)C)SCC1C(=O)NC(C)c1ccccc1
InChIInChI=1S/C24H30N2O2S/c1-16(2)14-22-26(24(28)20-13-9-8-10-17(20)3)21(15-29-22)23(27)25-18(4)19-11-6-5-7-12-19/h5-13,16,18,21-22H,14-15H2,1-4H3,(H,25,27)
InChIKeyDQIOAHWXGUMSND-UHFFFAOYSA-N
MW410.58 g/mol
LogP4.80
Rot. Bonds6

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

3-(2-methylbenzoyl)-2-(2-methylpropyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 3951099) has the molecular formula C24H30N2O2S and a molecular weight of 410.58 g/mol. Its IUPAC name is 3-(2-methylbenzoyl)-2-(2-methylpropyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(2-methylbenzoyl)-2-(2-methylpropyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID3951099
Molecular FormulaC24H30N2O2S
Molecular Weight410.58 g/mol
Exact Mass410.20
IUPAC Name3-(2-methylbenzoyl)-2-(2-methylpropyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1ccccc1C(=O)N1C(CC(C)C)SCC1C(=O)NC(C)c1ccccc1
InChIInChI=1S/C24H30N2O2S/c1-16(2)14-22-26(24(28)20-13-9-8-10-17(20)3)21(15-29-22)23(27)25-18(4)19-11-6-5-7-12-19/h5-13,16,18,21-22H,14-15H2,1-4H3,(H,25,27)
InChIKeyDQIOAHWXGUMSND-UHFFFAOYSA-N
XLogP4.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.58
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4R)-3-(2-methylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid
CID 809608
(2R,4R)-3-(2-methylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate
CID 6945921
2-methylpropyl 3-(2-methylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate
CID 42745545
3-(2-methylbenzoyl)-2-(2-methylpropyl)-N,N-dipropyl-1,3-thiazolidine-4-carboxamide
CID 42745380
3-(2-fluorobenzoyl)-2-phenyl-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide
CID 42744425
2-tert-butyl-3-(2-chlorobenzoyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide
CID 42745281
N-(1-phenylethyl)-2-propyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 5029074
(2S,4S)-3-(2-methylbenzoyl)-N-[(2S)-4-phenylbutan-2-yl]-2-propan-2-yl-1,3-thiazolidine-4-carboxamide
CID 6549185
3-(2-methylbenzoyl)-N-(4-phenylbutan-2-yl)-2-propan-2-yl-1,3-thiazolidine-4-carboxamide
CID 4536487
3-(2-methylbenzoyl)-N-(2-methylpropyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxamide
CID 42744803
(2R,4R)-N-[(2S)-butan-2-yl]-2-tert-butyl-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 7361724
2-cyclohexyl-N-(1,2-diphenylethyl)-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42744164

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylbenzoyl)-2-(2-methylpropyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-(2-methylbenzoyl)-2-(2-methylpropyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide (CID 3951099) is 3-(2-methylbenzoyl)-2-(2-methylpropyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-(2-methylbenzoyl)-2-(2-methylpropyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-(2-methylbenzoyl)-2-(2-methylpropyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide is Cc1ccccc1C(=O)N1C(CC(C)C)SCC1C(=O)NC(C)c1ccccc1.
What is the InChIKey of 3-(2-methylbenzoyl)-2-(2-methylpropyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is DQIOAHWXGUMSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2S/c1-16(2)14-22-26(24(28)20-13-9-8-10-17(20)3)21(15-29-22)23(27)25-18(4)19-11-6-5-7-12-19/h5-13,16,18,21-22H,14-15H2,1-4H3,(H,25,27).
What are the key properties of 3-(2-methylbenzoyl)-2-(2-methylpropyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide?
3-(2-methylbenzoyl)-2-(2-methylpropyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 410.58 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylbenzoyl)-2-(2-methylpropyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 3951099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).