N-[5-(4-bromophenyl)sulfanylquinolin-8-yl]-2,2-dimethylpropanamide

C20H19BrN2OS — CID 141418907

IUPACN-[5-(4-bromophenyl)sulfanylquinolin-8-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(Sc2ccc(Br)cc2)c2cccnc12
InChIInChI=1S/C20H19BrN2OS/c1-20(2,3)19(24)23-16-10-11-17(15-5-4-12-22-18(15)16)25-14-8-6-13(21)7-9-14/h4-12H,1-3H3,(H,23,24)
InChIKeyOEYLRHYEZZMZDP-UHFFFAOYSA-N
MW415.36 g/mol
LogP6.13
Rot. Bonds3

About N-[5-(4-bromophenyl)sulfanylquinolin-8-yl]-2,2-dimethylpropanamide

N-[5-(4-bromophenyl)sulfanylquinolin-8-yl]-2,2-dimethylpropanamide (PubChem CID 141418907) has the molecular formula C20H19BrN2OS and a molecular weight of 415.36 g/mol. Its IUPAC name is N-[5-(4-bromophenyl)sulfanylquinolin-8-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-(4-bromophenyl)sulfanylquinolin-8-yl]-2,2-dimethylpropanamide
PubChem CID141418907
Molecular FormulaC20H19BrN2OS
Molecular Weight415.36 g/mol
Exact Mass414.04
IUPAC NameN-[5-(4-bromophenyl)sulfanylquinolin-8-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(Sc2ccc(Br)cc2)c2cccnc12
InChIInChI=1S/C20H19BrN2OS/c1-20(2,3)19(24)23-16-10-11-17(15-5-4-12-22-18(15)16)25-14-8-6-13(21)7-9-14/h4-12H,1-3H3,(H,23,24)
InChIKeyOEYLRHYEZZMZDP-UHFFFAOYSA-N
XLogP6.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.36
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-N-[5-(4-methylphenyl)sulfanylquinolin-8-yl]acetamide
CID 141418898
2,2-dimethyl-N-(5-pyrazol-1-ylquinolin-8-yl)propanamide
CID 139187751
N-[5-[(4-bromophenyl)-phenylmethyl]quinolin-8-yl]-2,2-dimethylbutanamide
CID 132508835
propan-2-yl 2-[8-(2,2-dimethylpropanoylamino)quinolin-5-yl]-3-oxobutanoate
CID 154707628
2,2-dimethyl-N-[5-[2-(4-methylphenyl)ethenyl]quinolin-8-yl]propanamide
CID 141483605
2,2-dimethyl-N-quinolin-8-ylpropanamide;molecular hydrogen
CID 143593011
2,2-dimethyl-N-[5-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinolin-8-yl]propanamide
CID 141483609
3-chloro-N-(5-chloroquinolin-8-yl)-2,2-dimethylpropanamide
CID 63680758
2,2-dimethyl-N-(8-propoxyquinolin-5-yl)propanamide
CID 100773580
2,2-dimethyl-N-(2-propan-2-yl-3-pyridinyl)propanamide
CID 178129632
N-(8-butoxyquinolin-5-yl)-2,2-dimethylpropanamide
CID 100773589
3-amino-N-(5-chloroquinolin-8-yl)-2,2,3-trimethylbutanamide
CID 65269986

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-bromophenyl)sulfanylquinolin-8-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-(4-bromophenyl)sulfanylquinolin-8-yl]-2,2-dimethylpropanamide (CID 141418907) is N-[5-(4-bromophenyl)sulfanylquinolin-8-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-(4-bromophenyl)sulfanylquinolin-8-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-(4-bromophenyl)sulfanylquinolin-8-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccc(Sc2ccc(Br)cc2)c2cccnc12.
What is the InChIKey of N-[5-(4-bromophenyl)sulfanylquinolin-8-yl]-2,2-dimethylpropanamide?
The InChIKey is OEYLRHYEZZMZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2OS/c1-20(2,3)19(24)23-16-10-11-17(15-5-4-12-22-18(15)16)25-14-8-6-13(21)7-9-14/h4-12H,1-3H3,(H,23,24).
What are the key properties of N-[5-(4-bromophenyl)sulfanylquinolin-8-yl]-2,2-dimethylpropanamide?
N-[5-(4-bromophenyl)sulfanylquinolin-8-yl]-2,2-dimethylpropanamide has a molecular weight of 415.36 g/mol, XLogP of 6.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-bromophenyl)sulfanylquinolin-8-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 141418907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).