2-[4-[[(3aS,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]amino]phenyl]-N-[2-[furan-2-ylmethyl(propan-2-yl)amino]ethyl]acetamide

C23H30N4O4S2 — CID 98476606

IUPAC2-[4-[[(3aS,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]amino]phenyl]-N-[2-[furan-2-ylmethyl(propan-2-yl)amino]ethyl]acetamide
SMILESCC(C)N(CCNC(=O)Cc1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1)Cc1ccco1
InChIInChI=1S/C23H30N4O4S2/c1-16(2)27(13-19-4-3-11-31-19)10-9-24-22(28)12-17-5-7-18(8-6-17)25-23-26-20-14-33(29,30)15-21(20)32-23/h3-8,11,16,20-21H,9-10,12-15H2,1-2H3,(H,24,28)(H,25,26)/t20-,21+/m0/s1
InChIKeyJOZMPOMLHIMARO-LEWJYISDSA-N
MW490.65 g/mol
LogP2.53
Rot. Bonds9

About 2-[4-[[(3aS,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]amino]phenyl]-N-[2-[furan-2-ylmethyl(propan-2-yl)amino]ethyl]acetamide

2-[4-[[(3aS,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]amino]phenyl]-N-[2-[furan-2-ylmethyl(propan-2-yl)amino]ethyl]acetamide (PubChem CID 98476606) has the molecular formula C23H30N4O4S2 and a molecular weight of 490.65 g/mol. Its IUPAC name is 2-[4-[[(3aS,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]amino]phenyl]-N-[2-[furan-2-ylmethyl(propan-2-yl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-[4-[[(3aS,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]amino]phenyl]-N-[2-[furan-2-ylmethyl(propan-2-yl)amino]ethyl]acetamide
PubChem CID98476606
Molecular FormulaC23H30N4O4S2
Molecular Weight490.65 g/mol
Exact Mass490.17
IUPAC Name2-[4-[[(3aS,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]amino]phenyl]-N-[2-[furan-2-ylmethyl(propan-2-yl)amino]ethyl]acetamide
SMILESCC(C)N(CCNC(=O)Cc1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1)Cc1ccco1
InChIInChI=1S/C23H30N4O4S2/c1-16(2)27(13-19-4-3-11-31-19)10-9-24-22(28)12-17-5-7-18(8-6-17)25-23-26-20-14-33(29,30)15-21(20)32-23/h3-8,11,16,20-21H,9-10,12-15H2,1-2H3,(H,24,28)(H,25,26)/t20-,21+/m0/s1
InChIKeyJOZMPOMLHIMARO-LEWJYISDSA-N
XLogP2.53
TPSA104.01 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.65
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-[[(3aS,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]amino]phenyl]-N-[2-[furan-2-ylmethyl(propan-2-yl)amino]ethyl]acetamide with MolForge

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Related Compounds

4-[[(3aS,6aR)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]amino]-N-[2-(4-ethoxyphenyl)ethyl]benzamide
CID 6591937
N-butyl-3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]benzamide
CID 20874937
3-[[(3aS,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]amino]-N-(3,3-diethoxypropyl)benzamide
CID 41109761
3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methyl-N-(2-methylpropyl)benzamide
CID 22588504
3-[[(3aR,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]amino]-N-[3-(N-ethylanilino)propyl]benzamide
CID 124772418
N-[2-[furan-2-ylmethyl(propan-2-yl)amino]ethyl]-6-oxo-1H-pyridazine-5-carboxamide
CID 166372648
4-[[(3aS,6aR)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]amino]-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 98476585
N-[2-[acetyl(furan-2-ylmethyl)amino]ethyl]-2-(4-methylphenyl)acetamide
CID 113053917
3-[[(3aS,6aR)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]amino]-N-[2-(3-methylthiophen-2-yl)ethyl]benzamide
CID 92693730
2-N,3-N-bis(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)quinoxaline-2,3-diamine
CID 3995083
2-(4-acetamidophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)acetamide
CID 51923302
N-cyclopropyl-3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methylbenzamide
CID 46258588

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(3aS,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]amino]phenyl]-N-[2-[furan-2-ylmethyl(propan-2-yl)amino]ethyl]acetamide?
The IUPAC name of 2-[4-[[(3aS,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]amino]phenyl]-N-[2-[furan-2-ylmethyl(propan-2-yl)amino]ethyl]acetamide (CID 98476606) is 2-[4-[[(3aS,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]amino]phenyl]-N-[2-[furan-2-ylmethyl(propan-2-yl)amino]ethyl]acetamide.
What is the SMILES notation for 2-[4-[[(3aS,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]amino]phenyl]-N-[2-[furan-2-ylmethyl(propan-2-yl)amino]ethyl]acetamide?
The canonical SMILES for 2-[4-[[(3aS,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]amino]phenyl]-N-[2-[furan-2-ylmethyl(propan-2-yl)amino]ethyl]acetamide is CC(C)N(CCNC(=O)Cc1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1)Cc1ccco1.
What is the InChIKey of 2-[4-[[(3aS,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]amino]phenyl]-N-[2-[furan-2-ylmethyl(propan-2-yl)amino]ethyl]acetamide?
The InChIKey is JOZMPOMLHIMARO-LEWJYISDSA-N. The full InChI is InChI=1S/C23H30N4O4S2/c1-16(2)27(13-19-4-3-11-31-19)10-9-24-22(28)12-17-5-7-18(8-6-17)25-23-26-20-14-33(29,30)15-21(20)32-23/h3-8,11,16,20-21H,9-10,12-15H2,1-2H3,(H,24,28)(H,25,26)/t20-,21+/m0/s1.
What are the key properties of 2-[4-[[(3aS,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]amino]phenyl]-N-[2-[furan-2-ylmethyl(propan-2-yl)amino]ethyl]acetamide?
2-[4-[[(3aS,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]amino]phenyl]-N-[2-[furan-2-ylmethyl(propan-2-yl)amino]ethyl]acetamide has a molecular weight of 490.65 g/mol, XLogP of 2.53, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(3aS,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]amino]phenyl]-N-[2-[furan-2-ylmethyl(propan-2-yl)amino]ethyl]acetamide is sourced from PubChem (CID 98476606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).