N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

C19H18FN3O5S3 — CID 30275890

IUPACN-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)NCCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)S(=O)(=O)c1cccs1
InChIInChI=1S/C19H18FN3O5S3/c1-22(31(27,28)17-3-2-10-29-17)12-16(24)21-8-9-23-18(25)15(30-19(23)26)11-13-4-6-14(20)7-5-13/h2-7,10-11H,8-9,12H2,1H3,(H,21,24)/b15-11-
InChIKeyASLHUJYUJOBSLP-PTNGSMBKSA-N
MW483.57 g/mol
LogP2.36
Rot. Bonds8

About N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (PubChem CID 30275890) has the molecular formula C19H18FN3O5S3 and a molecular weight of 483.57 g/mol. Its IUPAC name is N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
PubChem CID30275890
Molecular FormulaC19H18FN3O5S3
Molecular Weight483.57 g/mol
Exact Mass483.04
IUPAC NameN-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)NCCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)S(=O)(=O)c1cccs1
InChIInChI=1S/C19H18FN3O5S3/c1-22(31(27,28)17-3-2-10-29-17)12-16(24)21-8-9-23-18(25)15(30-19(23)26)11-13-4-6-14(20)7-5-13/h2-7,10-11H,8-9,12H2,1H3,(H,21,24)/b15-11-
InChIKeyASLHUJYUJOBSLP-PTNGSMBKSA-N
XLogP2.36
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-thiophen-2-ylacetamide
CID 8502754
N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 2124401
N-[2-[5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 3949583
N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(2-methylphenyl)acetamide
CID 30843712
2-(3-fluorophenyl)-N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]acetamide
CID 8502731
4-fluoro-N-[2-[5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]benzamide
CID 4812381
N-[2-[5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 4809346
N-[2-[5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(4-fluorophenyl)acetamide
CID 76858773
2-fluoro-N-[2-[5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]benzamide
CID 3515184
3-(dimethylamino)-N-[2-[5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]benzamide
CID 3399742
2-(3-bromophenyl)-N-[2-[5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]acetamide
CID 76879645
3-cyclopentylsulfonyl-N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]propanamide
CID 55755956

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The IUPAC name of N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (CID 30275890) is N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is CN(CC(=O)NCCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The InChIKey is ASLHUJYUJOBSLP-PTNGSMBKSA-N. The full InChI is InChI=1S/C19H18FN3O5S3/c1-22(31(27,28)17-3-2-10-29-17)12-16(24)21-8-9-23-18(25)15(30-19(23)26)11-13-4-6-14(20)7-5-13/h2-7,10-11H,8-9,12H2,1H3,(H,21,24)/b15-11-.
What are the key properties of N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide has a molecular weight of 483.57 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 30275890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).