2-tert-butyl-3-(2-chlorobenzoyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide

C23H27ClN2O2S — CID 42745281

IUPAC2-tert-butyl-3-(2-chlorobenzoyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(NC(=O)C1CSC(C(C)(C)C)N1C(=O)c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C23H27ClN2O2S/c1-15(16-10-6-5-7-11-16)25-20(27)19-14-29-22(23(2,3)4)26(19)21(28)17-12-8-9-13-18(17)24/h5-13,15,19,22H,14H2,1-4H3,(H,25,27)
InChIKeyWJWVZHDEXTUWLV-UHFFFAOYSA-N
MW431.00 g/mol
LogP5.15
Rot. Bonds4

About 2-tert-butyl-3-(2-chlorobenzoyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide

2-tert-butyl-3-(2-chlorobenzoyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42745281) has the molecular formula C23H27ClN2O2S and a molecular weight of 431.00 g/mol. Its IUPAC name is 2-tert-butyl-3-(2-chlorobenzoyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-3-(2-chlorobenzoyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID42745281
Molecular FormulaC23H27ClN2O2S
Molecular Weight431.00 g/mol
Exact Mass430.15
IUPAC Name2-tert-butyl-3-(2-chlorobenzoyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(NC(=O)C1CSC(C(C)(C)C)N1C(=O)c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C23H27ClN2O2S/c1-15(16-10-6-5-7-11-16)25-20(27)19-14-29-22(23(2,3)4)26(19)21(28)17-12-8-9-13-18(17)24/h5-13,15,19,22H,14H2,1-4H3,(H,25,27)
InChIKeyWJWVZHDEXTUWLV-UHFFFAOYSA-N
XLogP5.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.00
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluorobenzoyl)-2-phenyl-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide
CID 42744425
3-(2-methylbenzoyl)-2-(2-methylpropyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide
CID 3951099
tert-butyl (2R,4S)-2-(4-chlorophenyl)-4-[[(1S)-1-phenylethyl]carbamoyl]-1,3-thiazolidine-3-carboxylate
CID 41244220
tert-butyl (2S,4R)-2-(4-chlorophenyl)-4-[[(1S)-1-phenylethyl]carbamoyl]-1,3-thiazolidine-3-carboxylate
CID 25407730
2-tert-butyl-3-(2-chlorobenzoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 42745284
3-(4-chlorobenzoyl)-N-(1-phenylethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 3986866
2-(4-tert-butylphenyl)-3-(4-methoxybenzoyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide
CID 4534669
2-(2-chlorophenyl)-3-(2-methylbenzoyl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 42744835
N-(1-phenylethyl)-2-propyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 5029074
2-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751520
2-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751519
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-(2-chlorobenzoyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 2-tert-butyl-3-(2-chlorobenzoyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide (CID 42745281) is 2-tert-butyl-3-(2-chlorobenzoyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 2-tert-butyl-3-(2-chlorobenzoyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 2-tert-butyl-3-(2-chlorobenzoyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide is CC(NC(=O)C1CSC(C(C)(C)C)N1C(=O)c1ccccc1Cl)c1ccccc1.
What is the InChIKey of 2-tert-butyl-3-(2-chlorobenzoyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is WJWVZHDEXTUWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O2S/c1-15(16-10-6-5-7-11-16)25-20(27)19-14-29-22(23(2,3)4)26(19)21(28)17-12-8-9-13-18(17)24/h5-13,15,19,22H,14H2,1-4H3,(H,25,27).
What are the key properties of 2-tert-butyl-3-(2-chlorobenzoyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide?
2-tert-butyl-3-(2-chlorobenzoyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 431.00 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-(2-chlorobenzoyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42745281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).