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

C22H23N3O4S2 — CID 4839878

IUPACN-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESCc1ccc(NC(=O)Cc2csc(-c3ccccc3)n2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H23N3O4S2/c1-16-7-8-18(13-20(16)31(27,28)25-9-11-29-12-10-25)23-21(26)14-19-15-30-22(24-19)17-5-3-2-4-6-17/h2-8,13,15H,9-12,14H2,1H3,(H,23,26)
InChIKeyLGDCLYPEKDCAMT-UHFFFAOYSA-N
MW457.58 g/mol
LogP3.32
Rot. Bonds6

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

N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (PubChem CID 4839878) has the molecular formula C22H23N3O4S2 and a molecular weight of 457.58 g/mol. Its IUPAC name is N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
PubChem CID4839878
Molecular FormulaC22H23N3O4S2
Molecular Weight457.58 g/mol
Exact Mass457.11
IUPAC NameN-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESCc1ccc(NC(=O)Cc2csc(-c3ccccc3)n2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H23N3O4S2/c1-16-7-8-18(13-20(16)31(27,28)25-9-11-29-12-10-25)23-21(26)14-19-15-30-22(24-19)17-5-3-2-4-6-17/h2-8,13,15H,9-12,14H2,1H3,(H,23,26)
InChIKeyLGDCLYPEKDCAMT-UHFFFAOYSA-N
XLogP3.32
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methyl-3-sulfamoylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 18159552
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 55388199
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 55386814
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 55388414
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 31473967
2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-N-phenylacetamide
CID 9100328
2-(1,2-benzoxazol-3-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 9183622
2-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3409401
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylmethoxyacetamide
CID 55358424
2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3947415
N-(3-morpholin-4-ylsulfonylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 55386608
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-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (CID 4839878) is N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is Cc1ccc(NC(=O)Cc2csc(-c3ccccc3)n2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is LGDCLYPEKDCAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S2/c1-16-7-8-18(13-20(16)31(27,28)25-9-11-29-12-10-25)23-21(26)14-19-15-30-22(24-19)17-5-3-2-4-6-17/h2-8,13,15H,9-12,14H2,1H3,(H,23,26).
What are the key properties of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 457.58 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 4839878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).