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

C22H28N2O6S — CID 42749363

IUPACN,N-diethyl-2-(furan-3-yl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
SMILESCCN(CC)C(=O)C1CSC(c2ccoc2)N1C(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C22H28N2O6S/c1-6-23(7-2)21(26)16-13-31-22(14-8-9-30-12-14)24(16)20(25)15-10-17(27-3)19(29-5)18(11-15)28-4/h8-12,16,22H,6-7,13H2,1-5H3
InChIKeyYEZJFXKBALVRQR-UHFFFAOYSA-N
MW448.54 g/mol
LogP3.43
Rot. Bonds8

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

N,N-diethyl-2-(furan-3-yl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42749363) has the molecular formula C22H28N2O6S and a molecular weight of 448.54 g/mol. Its IUPAC name is N,N-diethyl-2-(furan-3-yl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-(furan-3-yl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
PubChem CID42749363
Molecular FormulaC22H28N2O6S
Molecular Weight448.54 g/mol
Exact Mass448.17
IUPAC NameN,N-diethyl-2-(furan-3-yl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
SMILESCCN(CC)C(=O)C1CSC(c2ccoc2)N1C(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C22H28N2O6S/c1-6-23(7-2)21(26)16-13-31-22(14-8-9-30-12-14)24(16)20(25)15-10-17(27-3)19(29-5)18(11-15)28-4/h8-12,16,22H,6-7,13H2,1-5H3
InChIKeyYEZJFXKBALVRQR-UHFFFAOYSA-N
XLogP3.43
TPSA81.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzhydryl-2-(furan-3-yl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42749369
N-(3,3-diphenylpropyl)-2-(furan-3-yl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42749372
2-(furan-3-yl)-3-propanoyl-N,N-dipropyl-1,3-thiazolidine-4-carboxamide
CID 42744933
2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 5226971
2-(4-tert-butylphenyl)-N-(furan-2-ylmethyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42749106
N-butyl-2-(4-tert-butylphenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42749107
[2-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 42748782
N-benzyl-2-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42748764
ethyl 1-[2-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate
CID 42748769
2-(3,4-dimethoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42748773
N-(4-fluorophenyl)-2-phenyl-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 3394328
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 4530085

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(furan-3-yl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N,N-diethyl-2-(furan-3-yl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide (CID 42749363) is N,N-diethyl-2-(furan-3-yl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N,N-diethyl-2-(furan-3-yl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N,N-diethyl-2-(furan-3-yl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide is CCN(CC)C(=O)C1CSC(c2ccoc2)N1C(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N,N-diethyl-2-(furan-3-yl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is YEZJFXKBALVRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O6S/c1-6-23(7-2)21(26)16-13-31-22(14-8-9-30-12-14)24(16)20(25)15-10-17(27-3)19(29-5)18(11-15)28-4/h8-12,16,22H,6-7,13H2,1-5H3.
What are the key properties of N,N-diethyl-2-(furan-3-yl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide?
N,N-diethyl-2-(furan-3-yl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 448.54 g/mol, XLogP of 3.43, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(furan-3-yl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42749363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).