2-(2-chlorophenyl)-3-(2-methylbenzoyl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide

C23H27ClN2O2S — CID 42744835

IUPAC2-(2-chlorophenyl)-3-(2-methylbenzoyl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
SMILESCc1ccccc1C(=O)N1C(C(=O)NC(C)C(C)C)CSC1c1ccccc1Cl
InChIInChI=1S/C23H27ClN2O2S/c1-14(2)16(4)25-21(27)20-13-29-23(18-11-7-8-12-19(18)24)26(20)22(28)17-10-6-5-9-15(17)3/h5-12,14,16,20,23H,13H2,1-4H3,(H,25,27)
InChIKeyDPSZNZQHTYGWSP-UHFFFAOYSA-N
MW431.00 g/mol
LogP5.07
Rot. Bonds5

About 2-(2-chlorophenyl)-3-(2-methylbenzoyl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide

2-(2-chlorophenyl)-3-(2-methylbenzoyl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42744835) has the molecular formula C23H27ClN2O2S and a molecular weight of 431.00 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-(2-methylbenzoyl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-(2-methylbenzoyl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
PubChem CID42744835
Molecular FormulaC23H27ClN2O2S
Molecular Weight431.00 g/mol
Exact Mass430.15
IUPAC Name2-(2-chlorophenyl)-3-(2-methylbenzoyl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
SMILESCc1ccccc1C(=O)N1C(C(=O)NC(C)C(C)C)CSC1c1ccccc1Cl
InChIInChI=1S/C23H27ClN2O2S/c1-14(2)16(4)25-21(27)20-13-29-23(18-11-7-8-12-19(18)24)26(20)22(28)17-10-6-5-9-15(17)3/h5-12,14,16,20,23H,13H2,1-4H3,(H,25,27)
InChIKeyDPSZNZQHTYGWSP-UHFFFAOYSA-N
XLogP5.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.00
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-3-(2-methylbenzoyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 42744832
(2R,4S)-N-[(2R)-butan-2-yl]-2-(2-chlorophenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide
CID 7493155
3-benzoyl-2-(2-chlorophenyl)-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 42745243
ethyl 2-(2-chlorophenyl)-3-(2-fluorobenzoyl)-1,3-thiazolidine-4-carboxylate
CID 42728809
(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
methyl 2-(2-chlorophenyl)-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxylate
CID 42728767
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
(2R,4R)-2-(2-chlorophenyl)-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxylate
CID 7044378
(2S,4S)-2-(2-chlorophenyl)-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxylate
CID 7044376
3-(2-methylbenzoyl)-2-(2-methylpropyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide
CID 3951099

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-(2-methylbenzoyl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-3-(2-methylbenzoyl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide (CID 42744835) is 2-(2-chlorophenyl)-3-(2-methylbenzoyl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-3-(2-methylbenzoyl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-3-(2-methylbenzoyl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide is Cc1ccccc1C(=O)N1C(C(=O)NC(C)C(C)C)CSC1c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-3-(2-methylbenzoyl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is DPSZNZQHTYGWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O2S/c1-14(2)16(4)25-21(27)20-13-29-23(18-11-7-8-12-19(18)24)26(20)22(28)17-10-6-5-9-15(17)3/h5-12,14,16,20,23H,13H2,1-4H3,(H,25,27).
What are the key properties of 2-(2-chlorophenyl)-3-(2-methylbenzoyl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide?
2-(2-chlorophenyl)-3-(2-methylbenzoyl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 431.00 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-(2-methylbenzoyl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42744835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).