N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methylbenzamide

C17H18N2O3S — CID 7627515

IUPACN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1
InChIInChI=1S/C17H18N2O3S/c1-13-3-5-14(6-4-13)17(20)18-15-7-9-16(10-8-15)19-11-2-12-23(19,21)22/h3-10H,2,11-12H2,1H3,(H,18,20)
InChIKeyPHRKXKFLTIJYHA-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.79
Rot. Bonds3

About N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methylbenzamide

N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methylbenzamide (PubChem CID 7627515) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methylbenzamide
PubChem CID7627515
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1
InChIInChI=1S/C17H18N2O3S/c1-13-3-5-14(6-4-13)17(20)18-15-7-9-16(10-8-15)19-11-2-12-23(19,21)22/h3-10H,2,11-12H2,1H3,(H,18,20)
InChIKeyPHRKXKFLTIJYHA-UHFFFAOYSA-N
XLogP2.79
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 55535899
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-piperidin-1-ylbenzamide
CID 46979712
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,5-dimethylbenzamide
CID 7424221
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 42414553
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-hydroxy-4-methylphenyl)benzamide
CID 18109023
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-pentylphenyl)benzamide
CID 55432816
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 55433938
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-pyrazol-1-ylphenyl)benzamide
CID 78866605
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3-methyl-4-nitrobenzamide
CID 7584549
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(4-methylphenyl)propanamide
CID 51318715
4-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]-N-(1,3-thiazol-2-yl)benzamide
CID 55669414
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-(2-methoxyphenoxy)phenyl]benzamide
CID 55454072

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methylbenzamide?
The IUPAC name of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methylbenzamide (CID 7627515) is N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methylbenzamide.
What is the SMILES notation for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methylbenzamide?
The canonical SMILES for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1.
What is the InChIKey of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methylbenzamide?
The InChIKey is PHRKXKFLTIJYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-13-3-5-14(6-4-13)17(20)18-15-7-9-16(10-8-15)19-11-2-12-23(19,21)22/h3-10H,2,11-12H2,1H3,(H,18,20).
What are the key properties of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methylbenzamide?
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methylbenzamide has a molecular weight of 330.41 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methylbenzamide is sourced from PubChem (CID 7627515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).