N-butan-2-yl-2-(3-fluorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide

C24H29FN2O5S — CID 4664792

IUPACN-butan-2-yl-2-(3-fluorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CSC(c2cccc(F)c2)N1C(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C24H29FN2O5S/c1-6-14(2)26-22(28)18-13-33-24(15-8-7-9-17(25)10-15)27(18)23(29)16-11-19(30-3)21(32-5)20(12-16)31-4/h7-12,14,18,24H,6,13H2,1-5H3,(H,26,28)
InChIKeyQKMIKDMANNWRNY-UHFFFAOYSA-N
MW476.57 g/mol
LogP4.02
Rot. Bonds8

About N-butan-2-yl-2-(3-fluorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide

N-butan-2-yl-2-(3-fluorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 4664792) has the molecular formula C24H29FN2O5S and a molecular weight of 476.57 g/mol. Its IUPAC name is N-butan-2-yl-2-(3-fluorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(3-fluorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
PubChem CID4664792
Molecular FormulaC24H29FN2O5S
Molecular Weight476.57 g/mol
Exact Mass476.18
IUPAC NameN-butan-2-yl-2-(3-fluorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CSC(c2cccc(F)c2)N1C(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C24H29FN2O5S/c1-6-14(2)26-22(28)18-13-33-24(15-8-7-9-17(25)10-15)27(18)23(29)16-11-19(30-3)21(32-5)20(12-16)31-4/h7-12,14,18,24H,6,13H2,1-5H3,(H,26,28)
InChIKeyQKMIKDMANNWRNY-UHFFFAOYSA-N
XLogP4.02
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.57
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(3-fluorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-2-(3-fluorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide (CID 4664792) is N-butan-2-yl-2-(3-fluorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-(3-fluorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-2-(3-fluorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide is CCC(C)NC(=O)C1CSC(c2cccc(F)c2)N1C(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N-butan-2-yl-2-(3-fluorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is QKMIKDMANNWRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O5S/c1-6-14(2)26-22(28)18-13-33-24(15-8-7-9-17(25)10-15)27(18)23(29)16-11-19(30-3)21(32-5)20(12-16)31-4/h7-12,14,18,24H,6,13H2,1-5H3,(H,26,28).
What are the key properties of N-butan-2-yl-2-(3-fluorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide?
N-butan-2-yl-2-(3-fluorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 476.57 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(3-fluorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 4664792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).