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

C15H21ClN2O3S — CID 42641248

IUPACN-[(2-chlorophenyl)methyl]-2-(2-methylpropyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide
SMILESCC(C)CN1C(C(=O)NCc2ccccc2Cl)CCS1(=O)=O
InChIInChI=1S/C15H21ClN2O3S/c1-11(2)10-18-14(7-8-22(18,20)21)15(19)17-9-12-5-3-4-6-13(12)16/h3-6,11,14H,7-10H2,1-2H3,(H,17,19)
InChIKeyRWGICZIDSPSZRD-UHFFFAOYSA-N
MW344.86 g/mol
LogP2.02
Rot. Bonds5

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

N-[(2-chlorophenyl)methyl]-2-(2-methylpropyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide (PubChem CID 42641248) has the molecular formula C15H21ClN2O3S and a molecular weight of 344.86 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(2-methylpropyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(2-methylpropyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide
PubChem CID42641248
Molecular FormulaC15H21ClN2O3S
Molecular Weight344.86 g/mol
Exact Mass344.10
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(2-methylpropyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide
SMILESCC(C)CN1C(C(=O)NCc2ccccc2Cl)CCS1(=O)=O
InChIInChI=1S/C15H21ClN2O3S/c1-11(2)10-18-14(7-8-22(18,20)21)15(19)17-9-12-5-3-4-6-13(12)16/h3-6,11,14H,7-10H2,1-2H3,(H,17,19)
InChIKeyRWGICZIDSPSZRD-UHFFFAOYSA-N
XLogP2.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.86
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]cyclopropanecarboxamide
CID 899098
N-[(2-chlorophenyl)methyl]-1-methylpiperidine-2-carboxamide
CID 110851383
(3S)-N-[(3-chloro-2-methylphenyl)methyl]-1,1-dioxo-2-propan-2-ylthiazinane-3-carboxamide
CID 71450798
2-N-[(2-chlorophenyl)methyl]-1-N-(2-methylpropyl)cyclopropane-1,2-dicarboxamide
CID 109131432
N-[(2-chlorophenyl)methyl]cyclobutanecarboxamide
CID 17173308
N-[(3-chloro-2-methylphenyl)methyl]-2-(2-methylpropyl)-1,2-thiazolidine-3-carboxamide
CID 91086039
(3S)-N-[(2-chloro-3,4-difluorophenyl)methyl]-2-ethyl-1,1-dioxo-1,2-thiazolidine-3-carboxamide
CID 71459863
(2S)-1-N-(4-chlorophenyl)-2-N-[(2-chlorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468963
N-[(2-chlorophenyl)methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 44586596
4-N-[(2-chlorophenyl)methyl]-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109148482
N-[(2-chlorophenyl)methyl]thiane-4-carboxamide
CID 110851376
3-amino-N-[(2-chlorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119673508

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(2-methylpropyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(2-methylpropyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide (CID 42641248) is N-[(2-chlorophenyl)methyl]-2-(2-methylpropyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(2-methylpropyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(2-methylpropyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide is CC(C)CN1C(C(=O)NCc2ccccc2Cl)CCS1(=O)=O.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(2-methylpropyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide?
The InChIKey is RWGICZIDSPSZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3S/c1-11(2)10-18-14(7-8-22(18,20)21)15(19)17-9-12-5-3-4-6-13(12)16/h3-6,11,14H,7-10H2,1-2H3,(H,17,19).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(2-methylpropyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide?
N-[(2-chlorophenyl)methyl]-2-(2-methylpropyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide has a molecular weight of 344.86 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(2-methylpropyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide is sourced from PubChem (CID 42641248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).