2-[methyl(quinolin-8-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide

C17H17N3O3S2 — CID 5309091

IUPAC2-[methyl(quinolin-8-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(CC(=O)NCc1cccs1)S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C17H17N3O3S2/c1-20(12-16(21)19-11-14-7-4-10-24-14)25(22,23)15-8-2-5-13-6-3-9-18-17(13)15/h2-10H,11-12H2,1H3,(H,19,21)
InChIKeySDYAEWCXKRUFID-UHFFFAOYSA-N
MW375.48 g/mol
LogP2.23
Rot. Bonds6

About 2-[methyl(quinolin-8-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide

2-[methyl(quinolin-8-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 5309091) has the molecular formula C17H17N3O3S2 and a molecular weight of 375.48 g/mol. Its IUPAC name is 2-[methyl(quinolin-8-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[methyl(quinolin-8-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID5309091
Molecular FormulaC17H17N3O3S2
Molecular Weight375.48 g/mol
Exact Mass375.07
IUPAC Name2-[methyl(quinolin-8-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(CC(=O)NCc1cccs1)S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C17H17N3O3S2/c1-20(12-16(21)19-11-14-7-4-10-24-14)25(22,23)15-8-2-5-13-6-3-9-18-17(13)15/h2-10H,11-12H2,1H3,(H,19,21)
InChIKeySDYAEWCXKRUFID-UHFFFAOYSA-N
XLogP2.23
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(quinolin-8-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[methyl(quinolin-8-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide (CID 5309091) is 2-[methyl(quinolin-8-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[methyl(quinolin-8-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[methyl(quinolin-8-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide is CN(CC(=O)NCc1cccs1)S(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of 2-[methyl(quinolin-8-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is SDYAEWCXKRUFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S2/c1-20(12-16(21)19-11-14-7-4-10-24-14)25(22,23)15-8-2-5-13-6-3-9-18-17(13)15/h2-10H,11-12H2,1H3,(H,19,21).
What are the key properties of 2-[methyl(quinolin-8-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide?
2-[methyl(quinolin-8-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 375.48 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(quinolin-8-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 5309091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).