N-[5-(2-aminoethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-phenylphenyl)acetamide

C21H24N4O3S2 — CID 21051327

IUPACN-[5-(2-aminoethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-phenylphenyl)acetamide
SMILESCc1nc(N(C)C(=O)Cc2ccc(-c3ccccc3)cc2)sc1S(=O)(=O)NCCN
InChIInChI=1S/C21H24N4O3S2/c1-15-20(30(27,28)23-13-12-22)29-21(24-15)25(2)19(26)14-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,23H,12-14,22H2,1-2H3
InChIKeyXCQMHBYIKQATSX-UHFFFAOYSA-N
MW444.58 g/mol
LogP2.56
Rot. Bonds8

About N-[5-(2-aminoethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-phenylphenyl)acetamide

N-[5-(2-aminoethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-phenylphenyl)acetamide (PubChem CID 21051327) has the molecular formula C21H24N4O3S2 and a molecular weight of 444.58 g/mol. Its IUPAC name is N-[5-(2-aminoethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-phenylphenyl)acetamide.

Molecular Properties

Compound NameN-[5-(2-aminoethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-phenylphenyl)acetamide
PubChem CID21051327
Molecular FormulaC21H24N4O3S2
Molecular Weight444.58 g/mol
Exact Mass444.13
IUPAC NameN-[5-(2-aminoethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-phenylphenyl)acetamide
SMILESCc1nc(N(C)C(=O)Cc2ccc(-c3ccccc3)cc2)sc1S(=O)(=O)NCCN
InChIInChI=1S/C21H24N4O3S2/c1-15-20(30(27,28)23-13-12-22)29-21(24-15)25(2)19(26)14-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,23H,12-14,22H2,1-2H3
InChIKeyXCQMHBYIKQATSX-UHFFFAOYSA-N
XLogP2.56
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-aminoethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-phenylphenyl)acetamide?
The IUPAC name of N-[5-(2-aminoethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-phenylphenyl)acetamide (CID 21051327) is N-[5-(2-aminoethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-phenylphenyl)acetamide.
What is the SMILES notation for N-[5-(2-aminoethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-phenylphenyl)acetamide?
The canonical SMILES for N-[5-(2-aminoethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-phenylphenyl)acetamide is Cc1nc(N(C)C(=O)Cc2ccc(-c3ccccc3)cc2)sc1S(=O)(=O)NCCN.
What is the InChIKey of N-[5-(2-aminoethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-phenylphenyl)acetamide?
The InChIKey is XCQMHBYIKQATSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S2/c1-15-20(30(27,28)23-13-12-22)29-21(24-15)25(2)19(26)14-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,23H,12-14,22H2,1-2H3.
What are the key properties of N-[5-(2-aminoethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-phenylphenyl)acetamide?
N-[5-(2-aminoethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-phenylphenyl)acetamide has a molecular weight of 444.58 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-aminoethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 21051327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).