N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-2-(oxan-2-yl)acetamide

C17H24N2O4S — CID 110623141

IUPACN-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-2-(oxan-2-yl)acetamide
SMILESCc1ccc(NC(=O)CC2CCCCO2)cc1N1CCCS1(=O)=O
InChIInChI=1S/C17H24N2O4S/c1-13-6-7-14(11-16(13)19-8-4-10-24(19,21)22)18-17(20)12-15-5-2-3-9-23-15/h6-7,11,15H,2-5,8-10,12H2,1H3,(H,18,20)
InChIKeyJBXSUBRANYVOEG-UHFFFAOYSA-N
MW352.46 g/mol
LogP2.43
Rot. Bonds4

About N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-2-(oxan-2-yl)acetamide

N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-2-(oxan-2-yl)acetamide (PubChem CID 110623141) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-2-(oxan-2-yl)acetamide.

Molecular Properties

Compound NameN-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-2-(oxan-2-yl)acetamide
PubChem CID110623141
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC NameN-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-2-(oxan-2-yl)acetamide
SMILESCc1ccc(NC(=O)CC2CCCCO2)cc1N1CCCS1(=O)=O
InChIInChI=1S/C17H24N2O4S/c1-13-6-7-14(11-16(13)19-8-4-10-24(19,21)22)18-17(20)12-15-5-2-3-9-23-15/h6-7,11,15H,2-5,8-10,12H2,1H3,(H,18,20)
InChIKeyJBXSUBRANYVOEG-UHFFFAOYSA-N
XLogP2.43
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethylamino)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]acetamide
CID 119798756
1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-3-(oxan-4-yl)urea
CID 110623135
4-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]pentanamide
CID 120563198
ethyl 2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylanilino]-2-oxoacetate
CID 112505824
1-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 100674947
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110623140
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119798751
2-fluoro-4-[[2-(oxan-2-yl)acetyl]amino]benzoic acid
CID 107792703
2-(oxan-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 110608202
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]thiophene-2-carboxamide
CID 71683874
2-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-2-methylpentanamide
CID 119798780
N-(1,3-benzodioxol-5-yl)-2-(oxan-2-yl)acetamide
CID 110426347

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-2-(oxan-2-yl)acetamide?
The IUPAC name of N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-2-(oxan-2-yl)acetamide (CID 110623141) is N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-2-(oxan-2-yl)acetamide.
What is the SMILES notation for N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-2-(oxan-2-yl)acetamide?
The canonical SMILES for N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-2-(oxan-2-yl)acetamide is Cc1ccc(NC(=O)CC2CCCCO2)cc1N1CCCS1(=O)=O.
What is the InChIKey of N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-2-(oxan-2-yl)acetamide?
The InChIKey is JBXSUBRANYVOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-13-6-7-14(11-16(13)19-8-4-10-24(19,21)22)18-17(20)12-15-5-2-3-9-23-15/h6-7,11,15H,2-5,8-10,12H2,1H3,(H,18,20).
What are the key properties of N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-2-(oxan-2-yl)acetamide?
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-2-(oxan-2-yl)acetamide has a molecular weight of 352.46 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-2-(oxan-2-yl)acetamide is sourced from PubChem (CID 110623141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).