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

C15H21ClN2O3S — CID 71456140

IUPAC(3S)-N-[(3-chloro-2-methylphenyl)methyl]-1,1-dioxo-2-propan-2-yl-1,2-thiazolidine-3-carboxamide
SMILESCc1c(Cl)cccc1CNC(=O)[C@@H]1CCS(=O)(=O)N1C(C)C
InChIInChI=1S/C15H21ClN2O3S/c1-10(2)18-14(7-8-22(18,20)21)15(19)17-9-12-5-4-6-13(16)11(12)3/h4-6,10,14H,7-9H2,1-3H3,(H,17,19)/t14-/m0/s1
InChIKeyLMAJJKPQYHMZDK-AWEZNQCLSA-N
MW344.86 g/mol
LogP2.08
Rot. Bonds4

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

(3S)-N-[(3-chloro-2-methylphenyl)methyl]-1,1-dioxo-2-propan-2-yl-1,2-thiazolidine-3-carboxamide (PubChem CID 71456140) has the molecular formula C15H21ClN2O3S and a molecular weight of 344.86 g/mol. Its IUPAC name is (3S)-N-[(3-chloro-2-methylphenyl)methyl]-1,1-dioxo-2-propan-2-yl-1,2-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(3-chloro-2-methylphenyl)methyl]-1,1-dioxo-2-propan-2-yl-1,2-thiazolidine-3-carboxamide
PubChem CID71456140
Molecular FormulaC15H21ClN2O3S
Molecular Weight344.86 g/mol
Exact Mass344.10
IUPAC Name(3S)-N-[(3-chloro-2-methylphenyl)methyl]-1,1-dioxo-2-propan-2-yl-1,2-thiazolidine-3-carboxamide
SMILESCc1c(Cl)cccc1CNC(=O)[C@@H]1CCS(=O)(=O)N1C(C)C
InChIInChI=1S/C15H21ClN2O3S/c1-10(2)18-14(7-8-22(18,20)21)15(19)17-9-12-5-4-6-13(16)11(12)3/h4-6,10,14H,7-9H2,1-3H3,(H,17,19)/t14-/m0/s1
InChIKeyLMAJJKPQYHMZDK-AWEZNQCLSA-N
XLogP2.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.86
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(3-chloro-2-methylphenyl)methyl]-1,1-dioxo-2-propan-2-yl-1,2-thiazolidine-3-carboxamide?
The IUPAC name of (3S)-N-[(3-chloro-2-methylphenyl)methyl]-1,1-dioxo-2-propan-2-yl-1,2-thiazolidine-3-carboxamide (CID 71456140) is (3S)-N-[(3-chloro-2-methylphenyl)methyl]-1,1-dioxo-2-propan-2-yl-1,2-thiazolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(3-chloro-2-methylphenyl)methyl]-1,1-dioxo-2-propan-2-yl-1,2-thiazolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(3-chloro-2-methylphenyl)methyl]-1,1-dioxo-2-propan-2-yl-1,2-thiazolidine-3-carboxamide is Cc1c(Cl)cccc1CNC(=O)[C@@H]1CCS(=O)(=O)N1C(C)C.
What is the InChIKey of (3S)-N-[(3-chloro-2-methylphenyl)methyl]-1,1-dioxo-2-propan-2-yl-1,2-thiazolidine-3-carboxamide?
The InChIKey is LMAJJKPQYHMZDK-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21ClN2O3S/c1-10(2)18-14(7-8-22(18,20)21)15(19)17-9-12-5-4-6-13(16)11(12)3/h4-6,10,14H,7-9H2,1-3H3,(H,17,19)/t14-/m0/s1.
What are the key properties of (3S)-N-[(3-chloro-2-methylphenyl)methyl]-1,1-dioxo-2-propan-2-yl-1,2-thiazolidine-3-carboxamide?
(3S)-N-[(3-chloro-2-methylphenyl)methyl]-1,1-dioxo-2-propan-2-yl-1,2-thiazolidine-3-carboxamide has a molecular weight of 344.86 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(3-chloro-2-methylphenyl)methyl]-1,1-dioxo-2-propan-2-yl-1,2-thiazolidine-3-carboxamide is sourced from PubChem (CID 71456140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).