3-(4-chlorophenyl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methylpropanamide

C19H21ClN2O3S — CID 110302278

IUPAC3-(4-chlorophenyl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methylpropanamide
SMILESCC(Cc1ccc(Cl)cc1)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C19H21ClN2O3S/c1-14(12-15-6-8-16(20)9-7-15)19(23)21-17-4-2-5-18(13-17)22-10-3-11-26(22,24)25/h2,4-9,13-14H,3,10-12H2,1H3,(H,21,23)
InChIKeyMKBYQQIDJHJTRQ-UHFFFAOYSA-N
MW392.91 g/mol
LogP3.70
Rot. Bonds5

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

3-(4-chlorophenyl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methylpropanamide (PubChem CID 110302278) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methylpropanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methylpropanamide
PubChem CID110302278
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC Name3-(4-chlorophenyl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methylpropanamide
SMILESCC(Cc1ccc(Cl)cc1)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C19H21ClN2O3S/c1-14(12-15-6-8-16(20)9-7-15)19(23)21-17-4-2-5-18(13-17)22-10-3-11-26(22,24)25/h2,4-9,13-14H,3,10-12H2,1H3,(H,21,23)
InChIKeyMKBYQQIDJHJTRQ-UHFFFAOYSA-N
XLogP3.70
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide
CID 119289907
2-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-methoxypropanamide
CID 120985942
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(4-fluorophenyl)-2-methylpropanamide
CID 110302299
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]butanamide
CID 7638744
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-methyl-3-phenylpropanamide
CID 110353737
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(4-fluorophenyl)butanamide
CID 110312880
N-[3-(1,1-dioxothiazinan-2-yl)phenyl]-2-(4-fluorophenyl)butanamide
CID 110353565
4-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]butanamide
CID 22690097
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-oxo-2-piperidin-1-ylacetamide
CID 45493330
2-(3,4-dimethoxyphenyl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]acetamide
CID 7483155
N'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 45494621
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-(4-methylphenyl)butanamide
CID 110302263

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methylpropanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methylpropanamide (CID 110302278) is 3-(4-chlorophenyl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methylpropanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methylpropanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methylpropanamide is CC(Cc1ccc(Cl)cc1)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methylpropanamide?
The InChIKey is MKBYQQIDJHJTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-14(12-15-6-8-16(20)9-7-15)19(23)21-17-4-2-5-18(13-17)22-10-3-11-26(22,24)25/h2,4-9,13-14H,3,10-12H2,1H3,(H,21,23).
What are the key properties of 3-(4-chlorophenyl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methylpropanamide?
3-(4-chlorophenyl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methylpropanamide has a molecular weight of 392.91 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methylpropanamide is sourced from PubChem (CID 110302278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).