N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(4-methylphenyl)propanamide

C19H22N2O3S — CID 51318715

IUPACN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1
InChIInChI=1S/C19H22N2O3S/c1-15-3-5-16(6-4-15)7-12-19(22)20-17-8-10-18(11-9-17)21-13-2-14-25(21,23)24/h3-6,8-11H,2,7,12-14H2,1H3,(H,20,22)
InChIKeyIWEZAMDDRDVNRL-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.11
Rot. Bonds5

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

N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(4-methylphenyl)propanamide (PubChem CID 51318715) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(4-methylphenyl)propanamide
PubChem CID51318715
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1
InChIInChI=1S/C19H22N2O3S/c1-15-3-5-16(6-4-15)7-12-19(22)20-17-8-10-18(11-9-17)21-13-2-14-25(21,23)24/h3-6,8-11H,2,7,12-14H2,1H3,(H,20,22)
InChIKeyIWEZAMDDRDVNRL-UHFFFAOYSA-N
XLogP3.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-phenylpropanamide
CID 7627477
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3-phenylpropanamide
CID 7424224
N-[3-(1,1-dioxothiazinan-2-yl)phenyl]-3-(4-methylphenyl)propanamide
CID 110303569
N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-(4-methylphenyl)propanamide
CID 110303556
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-(4-methylphenyl)butanamide
CID 110302263
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-pyridin-3-ylpropanamide
CID 30697500
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methylbenzamide
CID 7627515
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]butanamide
CID 7424208
N,3-bis(4-methylphenyl)propanamide
CID 19220434
3-cyclopropyl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(4-methylphenyl)propanamide
CID 110303619
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 42489231
4-(2,5-dimethylthiophen-3-yl)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-oxobutanamide
CID 42488044

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(4-methylphenyl)propanamide?
The IUPAC name of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(4-methylphenyl)propanamide (CID 51318715) is N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(4-methylphenyl)propanamide is Cc1ccc(CCC(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1.
What is the InChIKey of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(4-methylphenyl)propanamide?
The InChIKey is IWEZAMDDRDVNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-15-3-5-16(6-4-15)7-12-19(22)20-17-8-10-18(11-9-17)21-13-2-14-25(21,23)24/h3-6,8-11H,2,7,12-14H2,1H3,(H,20,22).
What are the key properties of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(4-methylphenyl)propanamide?
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(4-methylphenyl)propanamide has a molecular weight of 358.46 g/mol, XLogP of 3.11, 5 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]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 51318715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).