2-[(4-cyanophenyl)methylsulfonyl]-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetamide

C20H24N4O4S2 — CID 55758548

IUPAC2-[(4-cyanophenyl)methylsulfonyl]-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC1CN(Cc2csc(NC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)n2)CC(C)O1
InChIInChI=1S/C20H24N4O4S2/c1-14-8-24(9-15(2)28-14)10-18-11-29-20(22-18)23-19(25)13-30(26,27)12-17-5-3-16(7-21)4-6-17/h3-6,11,14-15H,8-10,12-13H2,1-2H3,(H,22,23,25)
InChIKeyDVQHGCYZZVHFEI-UHFFFAOYSA-N
MW448.57 g/mol
LogP2.18
Rot. Bonds7

About 2-[(4-cyanophenyl)methylsulfonyl]-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetamide

2-[(4-cyanophenyl)methylsulfonyl]-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 55758548) has the molecular formula C20H24N4O4S2 and a molecular weight of 448.57 g/mol. Its IUPAC name is 2-[(4-cyanophenyl)methylsulfonyl]-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[(4-cyanophenyl)methylsulfonyl]-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID55758548
Molecular FormulaC20H24N4O4S2
Molecular Weight448.57 g/mol
Exact Mass448.12
IUPAC Name2-[(4-cyanophenyl)methylsulfonyl]-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC1CN(Cc2csc(NC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)n2)CC(C)O1
InChIInChI=1S/C20H24N4O4S2/c1-14-8-24(9-15(2)28-14)10-18-11-29-20(22-18)23-19(25)13-30(26,27)12-17-5-3-16(7-21)4-6-17/h3-6,11,14-15H,8-10,12-13H2,1-2H3,(H,22,23,25)
InChIKeyDVQHGCYZZVHFEI-UHFFFAOYSA-N
XLogP2.18
TPSA112.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-aminophenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 119840436
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 51324177
2-(4-aminophenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetamide;dihydrochloride
CID 119840435
N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2-(4-ethoxyphenoxy)acetamide
CID 30193598
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-(4-ethoxyphenoxy)acetamide
CID 42897621
2-(4-cyanophenoxy)-N-[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 25486653
N-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 30216768
4-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]pentanamide
CID 120564439
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-(2-methylphenyl)acetamide
CID 51321385
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 51324198
4-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]butanamide;dihydrochloride
CID 119840495
3-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]butanamide;dihydrochloride
CID 119840487

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanophenyl)methylsulfonyl]-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[(4-cyanophenyl)methylsulfonyl]-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetamide (CID 55758548) is 2-[(4-cyanophenyl)methylsulfonyl]-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[(4-cyanophenyl)methylsulfonyl]-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[(4-cyanophenyl)methylsulfonyl]-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetamide is CC1CN(Cc2csc(NC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)n2)CC(C)O1.
What is the InChIKey of 2-[(4-cyanophenyl)methylsulfonyl]-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is DVQHGCYZZVHFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4S2/c1-14-8-24(9-15(2)28-14)10-18-11-29-20(22-18)23-19(25)13-30(26,27)12-17-5-3-16(7-21)4-6-17/h3-6,11,14-15H,8-10,12-13H2,1-2H3,(H,22,23,25).
What are the key properties of 2-[(4-cyanophenyl)methylsulfonyl]-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetamide?
2-[(4-cyanophenyl)methylsulfonyl]-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 448.57 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanophenyl)methylsulfonyl]-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 55758548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).