N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyridin-3-ylphenyl)acetamide

C18H18N4O3S2 — CID 21051363

IUPACN-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyridin-3-ylphenyl)acetamide
SMILESCc1nc(N(C)C(=O)Cc2ccc(-c3cccnc3)cc2)sc1S(N)(=O)=O
InChIInChI=1S/C18H18N4O3S2/c1-12-17(27(19,24)25)26-18(21-12)22(2)16(23)10-13-5-7-14(8-6-13)15-4-3-9-20-11-15/h3-9,11H,10H2,1-2H3,(H2,19,24,25)
InChIKeyPTDBSMHMRGUHTQ-UHFFFAOYSA-N
MW402.50 g/mol
LogP2.37
Rot. Bonds5

About N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyridin-3-ylphenyl)acetamide

N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyridin-3-ylphenyl)acetamide (PubChem CID 21051363) has the molecular formula C18H18N4O3S2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyridin-3-ylphenyl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyridin-3-ylphenyl)acetamide
PubChem CID21051363
Molecular FormulaC18H18N4O3S2
Molecular Weight402.50 g/mol
Exact Mass402.08
IUPAC NameN-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyridin-3-ylphenyl)acetamide
SMILESCc1nc(N(C)C(=O)Cc2ccc(-c3cccnc3)cc2)sc1S(N)(=O)=O
InChIInChI=1S/C18H18N4O3S2/c1-12-17(27(19,24)25)26-18(21-12)22(2)16(23)10-13-5-7-14(8-6-13)15-4-3-9-20-11-15/h3-9,11H,10H2,1-2H3,(H2,19,24,25)
InChIKeyPTDBSMHMRGUHTQ-UHFFFAOYSA-N
XLogP2.37
TPSA106.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyridin-3-ylphenyl)acetamide?
The IUPAC name of N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyridin-3-ylphenyl)acetamide (CID 21051363) is N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyridin-3-ylphenyl)acetamide.
What is the SMILES notation for N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyridin-3-ylphenyl)acetamide?
The canonical SMILES for N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyridin-3-ylphenyl)acetamide is Cc1nc(N(C)C(=O)Cc2ccc(-c3cccnc3)cc2)sc1S(N)(=O)=O.
What is the InChIKey of N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyridin-3-ylphenyl)acetamide?
The InChIKey is PTDBSMHMRGUHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S2/c1-12-17(27(19,24)25)26-18(21-12)22(2)16(23)10-13-5-7-14(8-6-13)15-4-3-9-20-11-15/h3-9,11H,10H2,1-2H3,(H2,19,24,25).
What are the key properties of N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyridin-3-ylphenyl)acetamide?
N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyridin-3-ylphenyl)acetamide has a molecular weight of 402.50 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyridin-3-ylphenyl)acetamide is sourced from PubChem (CID 21051363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).