(4R)-3-benzoyl-N-[(4-phenylmethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide

C25H24N2O3S — CID 55938881

IUPAC(4R)-3-benzoyl-N-[(4-phenylmethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCc1ccc(OCc2ccccc2)cc1)[C@@H]1CSCN1C(=O)c1ccccc1
InChIInChI=1S/C25H24N2O3S/c28-24(23-17-31-18-27(23)25(29)21-9-5-2-6-10-21)26-15-19-11-13-22(14-12-19)30-16-20-7-3-1-4-8-20/h1-14,23H,15-18H2,(H,26,28)/t23-/m0/s1
InChIKeyPKJQQWXXLSYWKT-QHCPKHFHSA-N
MW432.55 g/mol
LogP4.10
Rot. Bonds7

About (4R)-3-benzoyl-N-[(4-phenylmethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide

(4R)-3-benzoyl-N-[(4-phenylmethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 55938881) has the molecular formula C25H24N2O3S and a molecular weight of 432.55 g/mol. Its IUPAC name is (4R)-3-benzoyl-N-[(4-phenylmethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-3-benzoyl-N-[(4-phenylmethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
PubChem CID55938881
Molecular FormulaC25H24N2O3S
Molecular Weight432.55 g/mol
Exact Mass432.15
IUPAC Name(4R)-3-benzoyl-N-[(4-phenylmethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCc1ccc(OCc2ccccc2)cc1)[C@@H]1CSCN1C(=O)c1ccccc1
InChIInChI=1S/C25H24N2O3S/c28-24(23-17-31-18-27(23)25(29)21-9-5-2-6-10-21)26-15-19-11-13-22(14-12-19)30-16-20-7-3-1-4-8-20/h1-14,23H,15-18H2,(H,26,28)/t23-/m0/s1
InChIKeyPKJQQWXXLSYWKT-QHCPKHFHSA-N
XLogP4.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-3-benzoyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 55938539
methyl N-[4-[[[(4R)-3-benzoyl-1,3-thiazolidine-4-carbonyl]amino]methyl]phenyl]carbamate
CID 55939179
(4R)-3-benzoyl-N-phenylmethoxy-1,3-thiazolidine-4-carboxamide
CID 94608808
N-benzyl-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]-1,3-thiazolidine-4-carboxamide
CID 43073205
(4S)-N-benzyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 809777
3-benzoyl-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 55545581
3-benzoyl-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 55608747
methyl 4-[2-[(3-benzoyl-1,3-thiazolidine-4-carbonyl)amino]ethyl]benzoate
CID 55515178
3-benzoyl-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 55893789
3-benzoyl-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 4543944
(4S)-3-benzoyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 46390015
N-benzyl-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide
CID 42749079

Frequently Asked Questions

What is the IUPAC name of (4R)-3-benzoyl-N-[(4-phenylmethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-3-benzoyl-N-[(4-phenylmethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide (CID 55938881) is (4R)-3-benzoyl-N-[(4-phenylmethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-3-benzoyl-N-[(4-phenylmethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-3-benzoyl-N-[(4-phenylmethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide is O=C(NCc1ccc(OCc2ccccc2)cc1)[C@@H]1CSCN1C(=O)c1ccccc1.
What is the InChIKey of (4R)-3-benzoyl-N-[(4-phenylmethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is PKJQQWXXLSYWKT-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H24N2O3S/c28-24(23-17-31-18-27(23)25(29)21-9-5-2-6-10-21)26-15-19-11-13-22(14-12-19)30-16-20-7-3-1-4-8-20/h1-14,23H,15-18H2,(H,26,28)/t23-/m0/s1.
What are the key properties of (4R)-3-benzoyl-N-[(4-phenylmethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide?
(4R)-3-benzoyl-N-[(4-phenylmethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 432.55 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-benzoyl-N-[(4-phenylmethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 55938881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).