2-[3-methylbutyl(quinolin-8-ylsulfonyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C20H24N4O4S — CID 42769392

IUPAC2-[3-methylbutyl(quinolin-8-ylsulfonyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN(CCC(C)C)S(=O)(=O)c2cccc3cccnc23)no1
InChIInChI=1S/C20H24N4O4S/c1-14(2)9-11-24(13-19(25)22-18-12-15(3)28-23-18)29(26,27)17-8-4-6-16-7-5-10-21-20(16)17/h4-8,10,12,14H,9,11,13H2,1-3H3,(H,22,23,25)
InChIKeyXNSFXRPZUVFTJS-UHFFFAOYSA-N
MW416.50 g/mol
LogP3.21
Rot. Bonds8

About 2-[3-methylbutyl(quinolin-8-ylsulfonyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[3-methylbutyl(quinolin-8-ylsulfonyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 42769392) has the molecular formula C20H24N4O4S and a molecular weight of 416.50 g/mol. Its IUPAC name is 2-[3-methylbutyl(quinolin-8-ylsulfonyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[3-methylbutyl(quinolin-8-ylsulfonyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID42769392
Molecular FormulaC20H24N4O4S
Molecular Weight416.50 g/mol
Exact Mass416.15
IUPAC Name2-[3-methylbutyl(quinolin-8-ylsulfonyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN(CCC(C)C)S(=O)(=O)c2cccc3cccnc23)no1
InChIInChI=1S/C20H24N4O4S/c1-14(2)9-11-24(13-19(25)22-18-12-15(3)28-23-18)29(26,27)17-8-4-6-16-7-5-10-21-20(16)17/h4-8,10,12,14H,9,11,13H2,1-3H3,(H,22,23,25)
InChIKeyXNSFXRPZUVFTJS-UHFFFAOYSA-N
XLogP3.21
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-methylbutyl(quinolin-8-ylsulfonyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide with MolForge

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Related Compounds

2-[benzenesulfonyl(3-methylbutyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42769393
2-[3-methylbutyl(methylsulfonyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4105604
2-[3-methylbutyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3463406
2-[hexyl(naphthalen-1-ylsulfonyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42769352
2-[(4-chloro-3-nitrophenyl)sulfonyl-(3-methylbutyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 5141625
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(quinolin-8-ylamino)ethyl]sulfanylpropanamide
CID 40882881
N-(5-methyl-1,3-thiazol-2-yl)-2-[prop-2-enyl(quinolin-8-ylsulfonyl)amino]acetamide
CID 42768537
2-chloro-N-(3-methylbutyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 4167041
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-propan-2-ylnaphthalene-1-carboxamide
CID 42768904
2-[methyl(naphthalen-1-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 60570476
N-(2,2-difluoroethyl)-N-propylquinoline-8-sulfonamide
CID 56791454
2-[3-methylbutyl(methylsulfonyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 42771763

Frequently Asked Questions

What is the IUPAC name of 2-[3-methylbutyl(quinolin-8-ylsulfonyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[3-methylbutyl(quinolin-8-ylsulfonyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 42769392) is 2-[3-methylbutyl(quinolin-8-ylsulfonyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[3-methylbutyl(quinolin-8-ylsulfonyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[3-methylbutyl(quinolin-8-ylsulfonyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CN(CCC(C)C)S(=O)(=O)c2cccc3cccnc23)no1.
What is the InChIKey of 2-[3-methylbutyl(quinolin-8-ylsulfonyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is XNSFXRPZUVFTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4S/c1-14(2)9-11-24(13-19(25)22-18-12-15(3)28-23-18)29(26,27)17-8-4-6-16-7-5-10-21-20(16)17/h4-8,10,12,14H,9,11,13H2,1-3H3,(H,22,23,25).
What are the key properties of 2-[3-methylbutyl(quinolin-8-ylsulfonyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[3-methylbutyl(quinolin-8-ylsulfonyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 416.50 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methylbutyl(quinolin-8-ylsulfonyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 42769392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).