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

C15H20ClFN2O3S — CID 71454381

IUPAC(3S)-N-[(2-chloro-4-fluorophenyl)methyl]-2-(2-methylpropyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide
SMILESCC(C)CN1[C@H](C(=O)NCc2ccc(F)cc2Cl)CCS1(=O)=O
InChIInChI=1S/C15H20ClFN2O3S/c1-10(2)9-19-14(5-6-23(19,21)22)15(20)18-8-11-3-4-12(17)7-13(11)16/h3-4,7,10,14H,5-6,8-9H2,1-2H3,(H,18,20)/t14-/m0/s1
InChIKeyHVLGQIZDHDRVCN-AWEZNQCLSA-N
MW362.85 g/mol
LogP2.16
Rot. Bonds5

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

(3S)-N-[(2-chloro-4-fluorophenyl)methyl]-2-(2-methylpropyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide (PubChem CID 71454381) has the molecular formula C15H20ClFN2O3S and a molecular weight of 362.85 g/mol. Its IUPAC name is (3S)-N-[(2-chloro-4-fluorophenyl)methyl]-2-(2-methylpropyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2-chloro-4-fluorophenyl)methyl]-2-(2-methylpropyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide
PubChem CID71454381
Molecular FormulaC15H20ClFN2O3S
Molecular Weight362.85 g/mol
Exact Mass362.09
IUPAC Name(3S)-N-[(2-chloro-4-fluorophenyl)methyl]-2-(2-methylpropyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide
SMILESCC(C)CN1[C@H](C(=O)NCc2ccc(F)cc2Cl)CCS1(=O)=O
InChIInChI=1S/C15H20ClFN2O3S/c1-10(2)9-19-14(5-6-23(19,21)22)15(20)18-8-11-3-4-12(17)7-13(11)16/h3-4,7,10,14H,5-6,8-9H2,1-2H3,(H,18,20)/t14-/m0/s1
InChIKeyHVLGQIZDHDRVCN-AWEZNQCLSA-N
XLogP2.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.85
LogP ≤ 52.16
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]-2-(2-methylpropyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide?
The IUPAC name of (3S)-N-[(2-chloro-4-fluorophenyl)methyl]-2-(2-methylpropyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide (CID 71454381) is (3S)-N-[(2-chloro-4-fluorophenyl)methyl]-2-(2-methylpropyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(2-chloro-4-fluorophenyl)methyl]-2-(2-methylpropyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(2-chloro-4-fluorophenyl)methyl]-2-(2-methylpropyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide is CC(C)CN1[C@H](C(=O)NCc2ccc(F)cc2Cl)CCS1(=O)=O.
What is the InChIKey of (3S)-N-[(2-chloro-4-fluorophenyl)methyl]-2-(2-methylpropyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide?
The InChIKey is HVLGQIZDHDRVCN-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H20ClFN2O3S/c1-10(2)9-19-14(5-6-23(19,21)22)15(20)18-8-11-3-4-12(17)7-13(11)16/h3-4,7,10,14H,5-6,8-9H2,1-2H3,(H,18,20)/t14-/m0/s1.
What are the key properties of (3S)-N-[(2-chloro-4-fluorophenyl)methyl]-2-(2-methylpropyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide?
(3S)-N-[(2-chloro-4-fluorophenyl)methyl]-2-(2-methylpropyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide has a molecular weight of 362.85 g/mol, XLogP of 2.16, 5 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]-2-(2-methylpropyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide is sourced from PubChem (CID 71454381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).