N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-cyclopropylpropanamide

C15H19ClN2O3S — CID 110623153

IUPACN-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-cyclopropylpropanamide
SMILESCC(C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1Cl)C1CC1
InChIInChI=1S/C15H19ClN2O3S/c1-10(11-3-4-11)15(19)17-14-9-12(5-6-13(14)16)18-7-2-8-22(18,20)21/h5-6,9-11H,2-4,7-8H2,1H3,(H,17,19)
InChIKeyYYYBCMASFPMGBS-UHFFFAOYSA-N
MW342.85 g/mol
LogP2.86
Rot. Bonds4

About N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-cyclopropylpropanamide

N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-cyclopropylpropanamide (PubChem CID 110623153) has the molecular formula C15H19ClN2O3S and a molecular weight of 342.85 g/mol. Its IUPAC name is N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-cyclopropylpropanamide.

Molecular Properties

Compound NameN-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-cyclopropylpropanamide
PubChem CID110623153
Molecular FormulaC15H19ClN2O3S
Molecular Weight342.85 g/mol
Exact Mass342.08
IUPAC NameN-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-cyclopropylpropanamide
SMILESCC(C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1Cl)C1CC1
InChIInChI=1S/C15H19ClN2O3S/c1-10(11-3-4-11)15(19)17-14-9-12(5-6-13(14)16)18-7-2-8-22(18,20)21/h5-6,9-11H,2-4,7-8H2,1H3,(H,17,19)
InChIKeyYYYBCMASFPMGBS-UHFFFAOYSA-N
XLogP2.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.85
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3,4-difluorobenzamide
CID 112505881
N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 110623156
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]acetamide
CID 7627611
N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 72685448
[2-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-2-oxoethyl] 2-methylpropanoate
CID 7482876
2-cyclopropyl-N-[4-(1,1-dioxothiazinan-2-yl)-3-methoxyphenyl]propanamide
CID 110622906
N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzenesulfonamide
CID 112505889
N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propane-2-sulfonamide
CID 7627410
2,5-dichloro-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 7482807
1-cyclopentyl-3-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]urea
CID 60545704
2-cyclopentyl-N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]propanamide
CID 110353562
2-cyclopropyl-N-(3,5-dichloro-4-hydroxyphenyl)propanamide
CID 83154434

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-cyclopropylpropanamide?
The IUPAC name of N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-cyclopropylpropanamide (CID 110623153) is N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-cyclopropylpropanamide.
What is the SMILES notation for N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-cyclopropylpropanamide?
The canonical SMILES for N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-cyclopropylpropanamide is CC(C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1Cl)C1CC1.
What is the InChIKey of N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-cyclopropylpropanamide?
The InChIKey is YYYBCMASFPMGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3S/c1-10(11-3-4-11)15(19)17-14-9-12(5-6-13(14)16)18-7-2-8-22(18,20)21/h5-6,9-11H,2-4,7-8H2,1H3,(H,17,19).
What are the key properties of N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-cyclopropylpropanamide?
N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-cyclopropylpropanamide has a molecular weight of 342.85 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-cyclopropylpropanamide is sourced from PubChem (CID 110623153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).