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

C22H26N2O3S — CID 110303619

IUPAC3-cyclopropyl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(C(CC(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)C2CC2)cc1
InChIInChI=1S/C22H26N2O3S/c1-16-3-5-17(6-4-16)21(18-7-8-18)15-22(25)23-19-9-11-20(12-10-19)24-13-2-14-28(24,26)27/h3-6,9-12,18,21H,2,7-8,13-15H2,1H3,(H,23,25)
InChIKeyBIBHLOXOQIULTG-UHFFFAOYSA-N
MW398.53 g/mol
LogP4.06
Rot. Bonds6

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

3-cyclopropyl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(4-methylphenyl)propanamide (PubChem CID 110303619) has the molecular formula C22H26N2O3S and a molecular weight of 398.53 g/mol. Its IUPAC name is 3-cyclopropyl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(4-methylphenyl)propanamide
PubChem CID110303619
Molecular FormulaC22H26N2O3S
Molecular Weight398.53 g/mol
Exact Mass398.17
IUPAC Name3-cyclopropyl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(C(CC(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)C2CC2)cc1
InChIInChI=1S/C22H26N2O3S/c1-16-3-5-17(6-4-16)21(18-7-8-18)15-22(25)23-19-9-11-20(12-10-19)24-13-2-14-28(24,26)27/h3-6,9-12,18,21H,2,7-8,13-15H2,1H3,(H,23,25)
InChIKeyBIBHLOXOQIULTG-UHFFFAOYSA-N
XLogP4.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 54.06
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]-4-methylbenzamide
CID 7627515
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(4-methylphenyl)propanamide
CID 51318715
1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(4-methylphenyl)urea
CID 30375019
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]butanamide
CID 7424208
3-cyclopropyl-3-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
CID 110411113
2-cyclopent-2-en-1-yl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]acetamide
CID 42932786
(2S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 42486342
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,5-dimethylbenzamide
CID 7424221
(3S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 125432083
1-[2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 56807907
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-phenylpropanamide
CID 7627477
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110623013

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(4-methylphenyl)propanamide?
The IUPAC name of 3-cyclopropyl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(4-methylphenyl)propanamide (CID 110303619) is 3-cyclopropyl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-cyclopropyl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(4-methylphenyl)propanamide?
The canonical SMILES for 3-cyclopropyl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(4-methylphenyl)propanamide is Cc1ccc(C(CC(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)C2CC2)cc1.
What is the InChIKey of 3-cyclopropyl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(4-methylphenyl)propanamide?
The InChIKey is BIBHLOXOQIULTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3S/c1-16-3-5-17(6-4-16)21(18-7-8-18)15-22(25)23-19-9-11-20(12-10-19)24-13-2-14-28(24,26)27/h3-6,9-12,18,21H,2,7-8,13-15H2,1H3,(H,23,25).
What are the key properties of 3-cyclopropyl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(4-methylphenyl)propanamide?
3-cyclopropyl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(4-methylphenyl)propanamide has a molecular weight of 398.53 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 110303619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).