N-benzhydryl-2-(furan-3-yl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide

C31H30N2O6S — CID 42749369

IUPACN-benzhydryl-2-(furan-3-yl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
SMILESCOc1cc(C(=O)N2C(C(=O)NC(c3ccccc3)c3ccccc3)CSC2c2ccoc2)cc(OC)c1OC
InChIInChI=1S/C31H30N2O6S/c1-36-25-16-23(17-26(37-2)28(25)38-3)30(35)33-24(19-40-31(33)22-14-15-39-18-22)29(34)32-27(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-18,24,27,31H,19H2,1-3H3,(H,32,34)
InChIKeyZFZOTHBYYYDYQB-UHFFFAOYSA-N
MW558.66 g/mol
LogP5.47
Rot. Bonds9

About N-benzhydryl-2-(furan-3-yl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide

N-benzhydryl-2-(furan-3-yl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42749369) has the molecular formula C31H30N2O6S and a molecular weight of 558.66 g/mol. Its IUPAC name is N-benzhydryl-2-(furan-3-yl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-2-(furan-3-yl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
PubChem CID42749369
Molecular FormulaC31H30N2O6S
Molecular Weight558.66 g/mol
Exact Mass558.18
IUPAC NameN-benzhydryl-2-(furan-3-yl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
SMILESCOc1cc(C(=O)N2C(C(=O)NC(c3ccccc3)c3ccccc3)CSC2c2ccoc2)cc(OC)c1OC
InChIInChI=1S/C31H30N2O6S/c1-36-25-16-23(17-26(37-2)28(25)38-3)30(35)33-24(19-40-31(33)22-14-15-39-18-22)29(34)32-27(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-18,24,27,31H,19H2,1-3H3,(H,32,34)
InChIKeyZFZOTHBYYYDYQB-UHFFFAOYSA-N
XLogP5.47
TPSA90.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.66
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,3-diphenylpropyl)-2-(furan-3-yl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42749372
N,N-diethyl-2-(furan-3-yl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42749363
N-benzhydryl-3-(3,4-dimethoxybenzoyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide
CID 3565672
N-(4-fluorophenyl)-2-phenyl-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 3394328
N-benzyl-2-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42748764
2-(4-tert-butylphenyl)-N-(furan-2-ylmethyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42749106
2-(4-tert-butylphenyl)-N-(2-fluorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 3988039
N-benzhydryl-2-(4-fluorophenyl)-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 4679781
N-(2-fluorophenyl)-2-(furan-3-yl)-3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42745167
3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 42745146
2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 5226971
3-(3,4-dimethoxybenzoyl)-2-phenyl-N-propyl-1,3-thiazolidine-4-carboxamide
CID 42744233

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-(furan-3-yl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-benzhydryl-2-(furan-3-yl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide (CID 42749369) is N-benzhydryl-2-(furan-3-yl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-benzhydryl-2-(furan-3-yl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-benzhydryl-2-(furan-3-yl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide is COc1cc(C(=O)N2C(C(=O)NC(c3ccccc3)c3ccccc3)CSC2c2ccoc2)cc(OC)c1OC.
What is the InChIKey of N-benzhydryl-2-(furan-3-yl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is ZFZOTHBYYYDYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N2O6S/c1-36-25-16-23(17-26(37-2)28(25)38-3)30(35)33-24(19-40-31(33)22-14-15-39-18-22)29(34)32-27(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-18,24,27,31H,19H2,1-3H3,(H,32,34).
What are the key properties of N-benzhydryl-2-(furan-3-yl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide?
N-benzhydryl-2-(furan-3-yl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 558.66 g/mol, XLogP of 5.47, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-(furan-3-yl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42749369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).