(3S)-N-[(2-chlorophenyl)methyl]-2-ethyl-1,1-dioxo-1,2-thiazolidine-3-carboxamide

C13H17ClN2O3S — CID 71459857

IUPAC(3S)-N-[(2-chlorophenyl)methyl]-2-ethyl-1,1-dioxo-1,2-thiazolidine-3-carboxamide
SMILESCCN1[C@H](C(=O)NCc2ccccc2Cl)CCS1(=O)=O
InChIInChI=1S/C13H17ClN2O3S/c1-2-16-12(7-8-20(16,18)19)13(17)15-9-10-5-3-4-6-11(10)14/h3-6,12H,2,7-9H2,1H3,(H,15,17)/t12-/m0/s1
InChIKeyQTFAZLGQFLCYMB-LBPRGKRZSA-N
MW316.81 g/mol
LogP1.38
Rot. Bonds4

About (3S)-N-[(2-chlorophenyl)methyl]-2-ethyl-1,1-dioxo-1,2-thiazolidine-3-carboxamide

(3S)-N-[(2-chlorophenyl)methyl]-2-ethyl-1,1-dioxo-1,2-thiazolidine-3-carboxamide (PubChem CID 71459857) has the molecular formula C13H17ClN2O3S and a molecular weight of 316.81 g/mol. Its IUPAC name is (3S)-N-[(2-chlorophenyl)methyl]-2-ethyl-1,1-dioxo-1,2-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2-chlorophenyl)methyl]-2-ethyl-1,1-dioxo-1,2-thiazolidine-3-carboxamide
PubChem CID71459857
Molecular FormulaC13H17ClN2O3S
Molecular Weight316.81 g/mol
Exact Mass316.06
IUPAC Name(3S)-N-[(2-chlorophenyl)methyl]-2-ethyl-1,1-dioxo-1,2-thiazolidine-3-carboxamide
SMILESCCN1[C@H](C(=O)NCc2ccccc2Cl)CCS1(=O)=O
InChIInChI=1S/C13H17ClN2O3S/c1-2-16-12(7-8-20(16,18)19)13(17)15-9-10-5-3-4-6-11(10)14/h3-6,12H,2,7-9H2,1H3,(H,15,17)/t12-/m0/s1
InChIKeyQTFAZLGQFLCYMB-LBPRGKRZSA-N
XLogP1.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2-chlorophenyl)methyl]-2-ethyl-1,1-dioxo-1,2-thiazolidine-3-carboxamide?
The IUPAC name of (3S)-N-[(2-chlorophenyl)methyl]-2-ethyl-1,1-dioxo-1,2-thiazolidine-3-carboxamide (CID 71459857) is (3S)-N-[(2-chlorophenyl)methyl]-2-ethyl-1,1-dioxo-1,2-thiazolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(2-chlorophenyl)methyl]-2-ethyl-1,1-dioxo-1,2-thiazolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(2-chlorophenyl)methyl]-2-ethyl-1,1-dioxo-1,2-thiazolidine-3-carboxamide is CCN1[C@H](C(=O)NCc2ccccc2Cl)CCS1(=O)=O.
What is the InChIKey of (3S)-N-[(2-chlorophenyl)methyl]-2-ethyl-1,1-dioxo-1,2-thiazolidine-3-carboxamide?
The InChIKey is QTFAZLGQFLCYMB-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H17ClN2O3S/c1-2-16-12(7-8-20(16,18)19)13(17)15-9-10-5-3-4-6-11(10)14/h3-6,12H,2,7-9H2,1H3,(H,15,17)/t12-/m0/s1.
What are the key properties of (3S)-N-[(2-chlorophenyl)methyl]-2-ethyl-1,1-dioxo-1,2-thiazolidine-3-carboxamide?
(3S)-N-[(2-chlorophenyl)methyl]-2-ethyl-1,1-dioxo-1,2-thiazolidine-3-carboxamide has a molecular weight of 316.81 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2-chlorophenyl)methyl]-2-ethyl-1,1-dioxo-1,2-thiazolidine-3-carboxamide is sourced from PubChem (CID 71459857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).