2-[methyl(quinolin-8-ylsulfonyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C16H16N4O3S2 — CID 5308399

IUPAC2-[methyl(quinolin-8-ylsulfonyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CN(C)S(=O)(=O)c2cccc3cccnc23)n1
InChIInChI=1S/C16H16N4O3S2/c1-11-10-24-16(18-11)19-14(21)9-20(2)25(22,23)13-7-3-5-12-6-4-8-17-15(12)13/h3-8,10H,9H2,1-2H3,(H,18,19,21)
InChIKeySPFHVFQEBGKJJT-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.26
Rot. Bonds5

About 2-[methyl(quinolin-8-ylsulfonyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-[methyl(quinolin-8-ylsulfonyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 5308399) has the molecular formula C16H16N4O3S2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[methyl(quinolin-8-ylsulfonyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[methyl(quinolin-8-ylsulfonyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID5308399
Molecular FormulaC16H16N4O3S2
Molecular Weight376.46 g/mol
Exact Mass376.07
IUPAC Name2-[methyl(quinolin-8-ylsulfonyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CN(C)S(=O)(=O)c2cccc3cccnc23)n1
InChIInChI=1S/C16H16N4O3S2/c1-11-10-24-16(18-11)19-14(21)9-20(2)25(22,23)13-7-3-5-12-6-4-8-17-15(12)13/h3-8,10H,9H2,1-2H3,(H,18,19,21)
InChIKeySPFHVFQEBGKJJT-UHFFFAOYSA-N
XLogP2.26
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(quinolin-8-ylsulfonyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[methyl(quinolin-8-ylsulfonyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 5308399) is 2-[methyl(quinolin-8-ylsulfonyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[methyl(quinolin-8-ylsulfonyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[methyl(quinolin-8-ylsulfonyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(NC(=O)CN(C)S(=O)(=O)c2cccc3cccnc23)n1.
What is the InChIKey of 2-[methyl(quinolin-8-ylsulfonyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is SPFHVFQEBGKJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S2/c1-11-10-24-16(18-11)19-14(21)9-20(2)25(22,23)13-7-3-5-12-6-4-8-17-15(12)13/h3-8,10H,9H2,1-2H3,(H,18,19,21).
What are the key properties of 2-[methyl(quinolin-8-ylsulfonyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[methyl(quinolin-8-ylsulfonyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 376.46 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(quinolin-8-ylsulfonyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 5308399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).