N-[4-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetyl]phenyl]-3-methylbenzamide

C19H16N2O4S — CID 7358047

IUPACN-[4-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetyl]phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(C(=O)CN3C(=O)CSC3=O)cc2)c1
InChIInChI=1S/C19H16N2O4S/c1-12-3-2-4-14(9-12)18(24)20-15-7-5-13(6-8-15)16(22)10-21-17(23)11-26-19(21)25/h2-9H,10-11H2,1H3,(H,20,24)
InChIKeyCHHAZKDJUNMSOS-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.13
Rot. Bonds5

About N-[4-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetyl]phenyl]-3-methylbenzamide

N-[4-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetyl]phenyl]-3-methylbenzamide (PubChem CID 7358047) has the molecular formula C19H16N2O4S and a molecular weight of 368.41 g/mol. Its IUPAC name is N-[4-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetyl]phenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[4-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetyl]phenyl]-3-methylbenzamide
PubChem CID7358047
Molecular FormulaC19H16N2O4S
Molecular Weight368.41 g/mol
Exact Mass368.08
IUPAC NameN-[4-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetyl]phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(C(=O)CN3C(=O)CSC3=O)cc2)c1
InChIInChI=1S/C19H16N2O4S/c1-12-3-2-4-14(9-12)18(24)20-15-7-5-13(6-8-15)16(22)10-21-17(23)11-26-19(21)25/h2-9H,10-11H2,1H3,(H,20,24)
InChIKeyCHHAZKDJUNMSOS-UHFFFAOYSA-N
XLogP3.13
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-(4-ethylphenyl)benzamide
CID 31401224
N-(4-bromophenyl)-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide
CID 36704293
3-methyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 3426380
N-(4-acetamidophenyl)-3-methylbenzamide
CID 730082
CID 87724838
CID 87724838
N-[4-(azepane-1-carbonyl)phenyl]-3-methylbenzamide
CID 17198989
N-(4-cyclopentylsulfonylphenyl)-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide
CID 55611099
3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
CID 55676403
N-(2,4-dimethylphenyl)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide
CID 4910885
[2-(4-benzamidophenyl)-2-oxoethyl] 2-(3-oxo-1,4-benzothiazin-4-yl)acetate
CID 27541550
N-[4-(diethylamino)phenyl]-3-methylbenzamide
CID 835431
3-methyl-N-[4-(pentylamino)phenyl]benzamide
CID 112985190

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetyl]phenyl]-3-methylbenzamide?
The IUPAC name of N-[4-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetyl]phenyl]-3-methylbenzamide (CID 7358047) is N-[4-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetyl]phenyl]-3-methylbenzamide.
What is the SMILES notation for N-[4-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetyl]phenyl]-3-methylbenzamide?
The canonical SMILES for N-[4-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetyl]phenyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc(C(=O)CN3C(=O)CSC3=O)cc2)c1.
What is the InChIKey of N-[4-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetyl]phenyl]-3-methylbenzamide?
The InChIKey is CHHAZKDJUNMSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4S/c1-12-3-2-4-14(9-12)18(24)20-15-7-5-13(6-8-15)16(22)10-21-17(23)11-26-19(21)25/h2-9H,10-11H2,1H3,(H,20,24).
What are the key properties of N-[4-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetyl]phenyl]-3-methylbenzamide?
N-[4-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetyl]phenyl]-3-methylbenzamide has a molecular weight of 368.41 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetyl]phenyl]-3-methylbenzamide is sourced from PubChem (CID 7358047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).