N-(3-morpholin-4-ylsulfonylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide

C20H20N4O4S2 — CID 55386608

IUPACN-(3-morpholin-4-ylsulfonylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2cccnc2)n1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C20H20N4O4S2/c25-19(12-17-14-29-20(23-17)15-3-2-6-21-13-15)22-16-4-1-5-18(11-16)30(26,27)24-7-9-28-10-8-24/h1-6,11,13-14H,7-10,12H2,(H,22,25)
InChIKeyAHSORRQMQNCORL-UHFFFAOYSA-N
MW444.54 g/mol
LogP2.41
Rot. Bonds6

About N-(3-morpholin-4-ylsulfonylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide

N-(3-morpholin-4-ylsulfonylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 55386608) has the molecular formula C20H20N4O4S2 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-(3-morpholin-4-ylsulfonylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylsulfonylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
PubChem CID55386608
Molecular FormulaC20H20N4O4S2
Molecular Weight444.54 g/mol
Exact Mass444.09
IUPAC NameN-(3-morpholin-4-ylsulfonylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2cccnc2)n1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C20H20N4O4S2/c25-19(12-17-14-29-20(23-17)15-3-2-6-21-13-15)22-16-4-1-5-18(11-16)30(26,27)24-7-9-28-10-8-24/h1-6,11,13-14H,7-10,12H2,(H,22,25)
InChIKeyAHSORRQMQNCORL-UHFFFAOYSA-N
XLogP2.41
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 55386814
N-(3-acetamidophenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51204752
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 55388199
N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 55664739
N-(3-morpholin-4-ylsulfonylphenyl)-3-pyridin-3-ylpropanamide
CID 9204402
N-[3-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]phenyl]butanamide
CID 87026182
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 4839878
N-(3,4-dimethylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 9191701
N-(3-morpholin-4-ylsulfonylphenyl)-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide
CID 55697164
3-morpholin-4-ylsulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 4852314
N-(3,5-dimethoxyphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 9192230
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 24506126

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylsulfonylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(3-morpholin-4-ylsulfonylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide (CID 55386608) is N-(3-morpholin-4-ylsulfonylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(3-morpholin-4-ylsulfonylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(3-morpholin-4-ylsulfonylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide is O=C(Cc1csc(-c2cccnc2)n1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-(3-morpholin-4-ylsulfonylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is AHSORRQMQNCORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S2/c25-19(12-17-14-29-20(23-17)15-3-2-6-21-13-15)22-16-4-1-5-18(11-16)30(26,27)24-7-9-28-10-8-24/h1-6,11,13-14H,7-10,12H2,(H,22,25).
What are the key properties of N-(3-morpholin-4-ylsulfonylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
N-(3-morpholin-4-ylsulfonylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 444.54 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylsulfonylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 55386608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).