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

C21H22N4O3S2 — CID 91453291

IUPACN-[[5-(cyclopropylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]methyl]-2-(4-pyridin-2-ylphenyl)acetamide
SMILESCc1nc(CNC(=O)Cc2ccc(-c3ccccn3)cc2)sc1S(=O)(=O)NC1CC1
InChIInChI=1S/C21H22N4O3S2/c1-14-21(30(27,28)25-17-9-10-17)29-20(24-14)13-23-19(26)12-15-5-7-16(8-6-15)18-4-2-3-11-22-18/h2-8,11,17,25H,9-10,12-13H2,1H3,(H,23,26)
InChIKeyZXTVFOMJTPTHKR-UHFFFAOYSA-N
MW442.57 g/mol
LogP2.81
Rot. Bonds8

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

N-[[5-(cyclopropylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]methyl]-2-(4-pyridin-2-ylphenyl)acetamide (PubChem CID 91453291) has the molecular formula C21H22N4O3S2 and a molecular weight of 442.57 g/mol. Its IUPAC name is N-[[5-(cyclopropylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]methyl]-2-(4-pyridin-2-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[[5-(cyclopropylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]methyl]-2-(4-pyridin-2-ylphenyl)acetamide
PubChem CID91453291
Molecular FormulaC21H22N4O3S2
Molecular Weight442.57 g/mol
Exact Mass442.11
IUPAC NameN-[[5-(cyclopropylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]methyl]-2-(4-pyridin-2-ylphenyl)acetamide
SMILESCc1nc(CNC(=O)Cc2ccc(-c3ccccn3)cc2)sc1S(=O)(=O)NC1CC1
InChIInChI=1S/C21H22N4O3S2/c1-14-21(30(27,28)25-17-9-10-17)29-20(24-14)13-23-19(26)12-15-5-7-16(8-6-15)18-4-2-3-11-22-18/h2-8,11,17,25H,9-10,12-13H2,1H3,(H,23,26)
InChIKeyZXTVFOMJTPTHKR-UHFFFAOYSA-N
XLogP2.81
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.57
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(cyclopropylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]methyl]-2-(4-pyridin-2-ylphenyl)acetamide?
The IUPAC name of N-[[5-(cyclopropylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]methyl]-2-(4-pyridin-2-ylphenyl)acetamide (CID 91453291) is N-[[5-(cyclopropylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]methyl]-2-(4-pyridin-2-ylphenyl)acetamide.
What is the SMILES notation for N-[[5-(cyclopropylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]methyl]-2-(4-pyridin-2-ylphenyl)acetamide?
The canonical SMILES for N-[[5-(cyclopropylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]methyl]-2-(4-pyridin-2-ylphenyl)acetamide is Cc1nc(CNC(=O)Cc2ccc(-c3ccccn3)cc2)sc1S(=O)(=O)NC1CC1.
What is the InChIKey of N-[[5-(cyclopropylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]methyl]-2-(4-pyridin-2-ylphenyl)acetamide?
The InChIKey is ZXTVFOMJTPTHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S2/c1-14-21(30(27,28)25-17-9-10-17)29-20(24-14)13-23-19(26)12-15-5-7-16(8-6-15)18-4-2-3-11-22-18/h2-8,11,17,25H,9-10,12-13H2,1H3,(H,23,26).
What are the key properties of N-[[5-(cyclopropylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]methyl]-2-(4-pyridin-2-ylphenyl)acetamide?
N-[[5-(cyclopropylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]methyl]-2-(4-pyridin-2-ylphenyl)acetamide has a molecular weight of 442.57 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(cyclopropylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]methyl]-2-(4-pyridin-2-ylphenyl)acetamide is sourced from PubChem (CID 91453291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).