N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(4-methylsulfonylphenyl)propanamide

C20H24N2O5S2 — CID 91624445

IUPACN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(4-methylsulfonylphenyl)propanamide
SMILESCc1ccc(N2CCCS2(=O)=O)cc1NC(=O)CCc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C20H24N2O5S2/c1-15-4-8-17(22-12-3-13-29(22,26)27)14-19(15)21-20(23)11-7-16-5-9-18(10-6-16)28(2,24)25/h4-6,8-10,14H,3,7,11-13H2,1-2H3,(H,21,23)
InChIKeyUHVNXZGGEVUVIT-UHFFFAOYSA-N
MW436.56 g/mol
LogP2.51
Rot. Bonds6

About N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(4-methylsulfonylphenyl)propanamide

N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(4-methylsulfonylphenyl)propanamide (PubChem CID 91624445) has the molecular formula C20H24N2O5S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(4-methylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(4-methylsulfonylphenyl)propanamide
PubChem CID91624445
Molecular FormulaC20H24N2O5S2
Molecular Weight436.56 g/mol
Exact Mass436.11
IUPAC NameN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(4-methylsulfonylphenyl)propanamide
SMILESCc1ccc(N2CCCS2(=O)=O)cc1NC(=O)CCc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C20H24N2O5S2/c1-15-4-8-17(22-12-3-13-29(22,26)27)14-19(15)21-20(23)11-7-16-5-9-18(10-6-16)28(2,24)25/h4-6,8-10,14H,3,7,11-13H2,1-2H3,(H,21,23)
InChIKeyUHVNXZGGEVUVIT-UHFFFAOYSA-N
XLogP2.51
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(4-methylphenyl)propanamide
CID 51318715
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-3-(3-methylphenyl)propanamide
CID 55932837
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-5-thiophen-2-ylpentanamide
CID 110302293
ethyl N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]carbamate
CID 7638850
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-2-(4-methylphenyl)acetamide
CID 47049370
N-[3-(1,1-dioxothiazinan-2-yl)phenyl]-3-(4-methylphenyl)propanamide
CID 110303569
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(4-fluorophenyl)-2-methylpropanamide
CID 110302299
1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(4-methylphenyl)urea
CID 30375019
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-4-fluorobenzenesulfonamide
CID 7483062
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-phenylpropanamide
CID 7627477
1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(3-methylphenyl)urea
CID 30375013
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-4-ethoxybenzamide
CID 7483201

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(4-methylsulfonylphenyl)propanamide?
The IUPAC name of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(4-methylsulfonylphenyl)propanamide (CID 91624445) is N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(4-methylsulfonylphenyl)propanamide.
What is the SMILES notation for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(4-methylsulfonylphenyl)propanamide?
The canonical SMILES for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(4-methylsulfonylphenyl)propanamide is Cc1ccc(N2CCCS2(=O)=O)cc1NC(=O)CCc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(4-methylsulfonylphenyl)propanamide?
The InChIKey is UHVNXZGGEVUVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S2/c1-15-4-8-17(22-12-3-13-29(22,26)27)14-19(15)21-20(23)11-7-16-5-9-18(10-6-16)28(2,24)25/h4-6,8-10,14H,3,7,11-13H2,1-2H3,(H,21,23).
What are the key properties of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(4-methylsulfonylphenyl)propanamide?
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(4-methylsulfonylphenyl)propanamide has a molecular weight of 436.56 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(4-methylsulfonylphenyl)propanamide is sourced from PubChem (CID 91624445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).