(3S)-N-[(2-chloro-4-fluorophenyl)methyl]-1,1-dioxo-2-propan-2-yl-1,2-thiazolidine-3-carboxamide

C14H18ClFN2O3S — CID 71463308

IUPAC(3S)-N-[(2-chloro-4-fluorophenyl)methyl]-1,1-dioxo-2-propan-2-yl-1,2-thiazolidine-3-carboxamide
SMILESCC(C)N1[C@H](C(=O)NCc2ccc(F)cc2Cl)CCS1(=O)=O
InChIInChI=1S/C14H18ClFN2O3S/c1-9(2)18-13(5-6-22(18,20)21)14(19)17-8-10-3-4-11(16)7-12(10)15/h3-4,7,9,13H,5-6,8H2,1-2H3,(H,17,19)/t13-/m0/s1
InChIKeyQZQUFRFHOLWVPX-ZDUSSCGKSA-N
MW348.83 g/mol
LogP1.91
Rot. Bonds4

About (3S)-N-[(2-chloro-4-fluorophenyl)methyl]-1,1-dioxo-2-propan-2-yl-1,2-thiazolidine-3-carboxamide

(3S)-N-[(2-chloro-4-fluorophenyl)methyl]-1,1-dioxo-2-propan-2-yl-1,2-thiazolidine-3-carboxamide (PubChem CID 71463308) has the molecular formula C14H18ClFN2O3S and a molecular weight of 348.83 g/mol. Its IUPAC name is (3S)-N-[(2-chloro-4-fluorophenyl)methyl]-1,1-dioxo-2-propan-2-yl-1,2-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2-chloro-4-fluorophenyl)methyl]-1,1-dioxo-2-propan-2-yl-1,2-thiazolidine-3-carboxamide
PubChem CID71463308
Molecular FormulaC14H18ClFN2O3S
Molecular Weight348.83 g/mol
Exact Mass348.07
IUPAC Name(3S)-N-[(2-chloro-4-fluorophenyl)methyl]-1,1-dioxo-2-propan-2-yl-1,2-thiazolidine-3-carboxamide
SMILESCC(C)N1[C@H](C(=O)NCc2ccc(F)cc2Cl)CCS1(=O)=O
InChIInChI=1S/C14H18ClFN2O3S/c1-9(2)18-13(5-6-22(18,20)21)14(19)17-8-10-3-4-11(16)7-12(10)15/h3-4,7,9,13H,5-6,8H2,1-2H3,(H,17,19)/t13-/m0/s1
InChIKeyQZQUFRFHOLWVPX-ZDUSSCGKSA-N
XLogP1.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2-chloro-4-fluorophenyl)methyl]-1,1-dioxo-2-propan-2-yl-1,2-thiazolidine-3-carboxamide?
The IUPAC name of (3S)-N-[(2-chloro-4-fluorophenyl)methyl]-1,1-dioxo-2-propan-2-yl-1,2-thiazolidine-3-carboxamide (CID 71463308) is (3S)-N-[(2-chloro-4-fluorophenyl)methyl]-1,1-dioxo-2-propan-2-yl-1,2-thiazolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(2-chloro-4-fluorophenyl)methyl]-1,1-dioxo-2-propan-2-yl-1,2-thiazolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(2-chloro-4-fluorophenyl)methyl]-1,1-dioxo-2-propan-2-yl-1,2-thiazolidine-3-carboxamide is CC(C)N1[C@H](C(=O)NCc2ccc(F)cc2Cl)CCS1(=O)=O.
What is the InChIKey of (3S)-N-[(2-chloro-4-fluorophenyl)methyl]-1,1-dioxo-2-propan-2-yl-1,2-thiazolidine-3-carboxamide?
The InChIKey is QZQUFRFHOLWVPX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H18ClFN2O3S/c1-9(2)18-13(5-6-22(18,20)21)14(19)17-8-10-3-4-11(16)7-12(10)15/h3-4,7,9,13H,5-6,8H2,1-2H3,(H,17,19)/t13-/m0/s1.
What are the key properties of (3S)-N-[(2-chloro-4-fluorophenyl)methyl]-1,1-dioxo-2-propan-2-yl-1,2-thiazolidine-3-carboxamide?
(3S)-N-[(2-chloro-4-fluorophenyl)methyl]-1,1-dioxo-2-propan-2-yl-1,2-thiazolidine-3-carboxamide has a molecular weight of 348.83 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2-chloro-4-fluorophenyl)methyl]-1,1-dioxo-2-propan-2-yl-1,2-thiazolidine-3-carboxamide is sourced from PubChem (CID 71463308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).