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

C18H17N3O3S2 — CID 18159552

IUPACN-(4-methyl-3-sulfamoylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESCc1ccc(NC(=O)Cc2csc(-c3ccccc3)n2)cc1S(N)(=O)=O
InChIInChI=1S/C18H17N3O3S2/c1-12-7-8-14(9-16(12)26(19,23)24)20-17(22)10-15-11-25-18(21-15)13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,20,22)(H2,19,23,24)
InChIKeyQQFKAEHEXHKKNT-UHFFFAOYSA-N
MW387.49 g/mol
LogP2.95
Rot. Bonds5

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

N-(4-methyl-3-sulfamoylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (PubChem CID 18159552) has the molecular formula C18H17N3O3S2 and a molecular weight of 387.49 g/mol. Its IUPAC name is N-(4-methyl-3-sulfamoylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(4-methyl-3-sulfamoylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
PubChem CID18159552
Molecular FormulaC18H17N3O3S2
Molecular Weight387.49 g/mol
Exact Mass387.07
IUPAC NameN-(4-methyl-3-sulfamoylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESCc1ccc(NC(=O)Cc2csc(-c3ccccc3)n2)cc1S(N)(=O)=O
InChIInChI=1S/C18H17N3O3S2/c1-12-7-8-14(9-16(12)26(19,23)24)20-17(22)10-15-11-25-18(21-15)13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,20,22)(H2,19,23,24)
InChIKeyQQFKAEHEXHKKNT-UHFFFAOYSA-N
XLogP2.95
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 31473967
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 4839878
methyl 4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzoate
CID 4794716
N-(3-hydroxyphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 78783427
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 55388199
N-(3,4-dimethylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 9191701
N-(4-chloro-2-methylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 7741839
N-methyl-4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzamide
CID 9164577
N-(4-methoxy-3-sulfamoylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 4786526
N-[2-methyl-5-(thiadiazol-4-yl)phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 46975061
N-(2-amino-2-oxoethyl)-3-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzamide
CID 46442581
N-(4-methyl-3-sulfamoylphenyl)-2-thiophen-2-ylacetamide
CID 9140832

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-sulfamoylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(4-methyl-3-sulfamoylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (CID 18159552) is N-(4-methyl-3-sulfamoylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(4-methyl-3-sulfamoylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(4-methyl-3-sulfamoylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is Cc1ccc(NC(=O)Cc2csc(-c3ccccc3)n2)cc1S(N)(=O)=O.
What is the InChIKey of N-(4-methyl-3-sulfamoylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is QQFKAEHEXHKKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S2/c1-12-7-8-14(9-16(12)26(19,23)24)20-17(22)10-15-11-25-18(21-15)13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,20,22)(H2,19,23,24).
What are the key properties of N-(4-methyl-3-sulfamoylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
N-(4-methyl-3-sulfamoylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 387.49 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-sulfamoylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 18159552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).