N-[(4-chlorophenyl)methyl]-2-[4-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]phenyl]acetamide

C20H20ClN3O3S2 — CID 20875005

IUPACN-[(4-chlorophenyl)methyl]-2-[4-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]phenyl]acetamide
SMILESO=C(Cc1ccc(NC2=NC3CS(=O)(=O)CC3S2)cc1)NCc1ccc(Cl)cc1
InChIInChI=1S/C20H20ClN3O3S2/c21-15-5-1-14(2-6-15)10-22-19(25)9-13-3-7-16(8-4-13)23-20-24-17-11-29(26,27)12-18(17)28-20/h1-8,17-18H,9-12H2,(H,22,25)(H,23,24)
InChIKeyZNYPCTCJFDSPLU-UHFFFAOYSA-N
MW449.99 g/mol
LogP2.88
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-2-[4-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]phenyl]acetamide

N-[(4-chlorophenyl)methyl]-2-[4-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]phenyl]acetamide (PubChem CID 20875005) has the molecular formula C20H20ClN3O3S2 and a molecular weight of 449.99 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[4-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[4-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]phenyl]acetamide
PubChem CID20875005
Molecular FormulaC20H20ClN3O3S2
Molecular Weight449.99 g/mol
Exact Mass449.06
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[4-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]phenyl]acetamide
SMILESO=C(Cc1ccc(NC2=NC3CS(=O)(=O)CC3S2)cc1)NCc1ccc(Cl)cc1
InChIInChI=1S/C20H20ClN3O3S2/c21-15-5-1-14(2-6-15)10-22-19(25)9-13-3-7-16(8-4-13)23-20-24-17-11-29(26,27)12-18(17)28-20/h1-8,17-18H,9-12H2,(H,22,25)(H,23,24)
InChIKeyZNYPCTCJFDSPLU-UHFFFAOYSA-N
XLogP2.88
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.99
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(4-chlorophenyl)methyl]-2-[4-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[4-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]phenyl]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[4-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]phenyl]acetamide (CID 20875005) is N-[(4-chlorophenyl)methyl]-2-[4-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[4-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[4-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]phenyl]acetamide is O=C(Cc1ccc(NC2=NC3CS(=O)(=O)CC3S2)cc1)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[4-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]phenyl]acetamide?
The InChIKey is ZNYPCTCJFDSPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3S2/c21-15-5-1-14(2-6-15)10-22-19(25)9-13-3-7-16(8-4-13)23-20-24-17-11-29(26,27)12-18(17)28-20/h1-8,17-18H,9-12H2,(H,22,25)(H,23,24).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[4-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]phenyl]acetamide?
N-[(4-chlorophenyl)methyl]-2-[4-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]phenyl]acetamide has a molecular weight of 449.99 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[4-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]phenyl]acetamide is sourced from PubChem (CID 20875005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).