N-[5-(benzenesulfonyl)quinolin-8-yl]propanamide

C18H16N2O3S — CID 139094633

IUPACN-[5-(benzenesulfonyl)quinolin-8-yl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)c2ccccc2)c2cccnc12
InChIInChI=1S/C18H16N2O3S/c1-2-17(21)20-15-10-11-16(14-9-6-12-19-18(14)15)24(22,23)13-7-4-3-5-8-13/h3-12H,2H2,1H3,(H,20,21)
InChIKeyYUPFWXXPRYXXGY-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.42
Rot. Bonds4

About N-[5-(benzenesulfonyl)quinolin-8-yl]propanamide

N-[5-(benzenesulfonyl)quinolin-8-yl]propanamide (PubChem CID 139094633) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is N-[5-(benzenesulfonyl)quinolin-8-yl]propanamide.

Molecular Properties

Compound NameN-[5-(benzenesulfonyl)quinolin-8-yl]propanamide
PubChem CID139094633
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC NameN-[5-(benzenesulfonyl)quinolin-8-yl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)c2ccccc2)c2cccnc12
InChIInChI=1S/C18H16N2O3S/c1-2-17(21)20-15-10-11-16(14-9-6-12-19-18(14)15)24(22,23)13-7-4-3-5-8-13/h3-12H,2H2,1H3,(H,20,21)
InChIKeyYUPFWXXPRYXXGY-UHFFFAOYSA-N
XLogP3.42
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-thiophen-2-ylsulfonylquinolin-8-yl)benzamide
CID 132603204
N-(5-bromoquinolin-8-yl)butanamide
CID 35287139
N-(2-amino-3-pyridinyl)propanamide
CID 174521549
2-phenyl-N-(5-phenylquinolin-8-yl)acetamide
CID 141483582
(8-benzamidoquinolin-5-yl) propanoate
CID 132937572
2-[2-[(5-bromoquinolin-8-yl)amino]-2-oxoethyl]benzoic acid
CID 56761360
N-[2-(benzenesulfonyl)phenyl]quinoline-5-carboxamide
CID 142723873
4-(4-methylphenyl)sulfonyl-3-(propanoylamino)benzoic acid
CID 5085676
N-(6-phenylmethoxyquinolin-8-yl)propanamide
CID 67574564
2-[2-[(5-chloroquinolin-8-yl)amino]-2-oxoethoxy]acetic acid
CID 61328615
N-[5-(2-phenylethynyl)quinolin-8-yl]acetamide
CID 141483129
N-(2-chlorophenyl)-2-[4-(8-methylquinolin-5-yl)sulfonylpiperazin-1-yl]acetamide
CID 55558830

Frequently Asked Questions

What is the IUPAC name of N-[5-(benzenesulfonyl)quinolin-8-yl]propanamide?
The IUPAC name of N-[5-(benzenesulfonyl)quinolin-8-yl]propanamide (CID 139094633) is N-[5-(benzenesulfonyl)quinolin-8-yl]propanamide.
What is the SMILES notation for N-[5-(benzenesulfonyl)quinolin-8-yl]propanamide?
The canonical SMILES for N-[5-(benzenesulfonyl)quinolin-8-yl]propanamide is CCC(=O)Nc1ccc(S(=O)(=O)c2ccccc2)c2cccnc12.
What is the InChIKey of N-[5-(benzenesulfonyl)quinolin-8-yl]propanamide?
The InChIKey is YUPFWXXPRYXXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-2-17(21)20-15-10-11-16(14-9-6-12-19-18(14)15)24(22,23)13-7-4-3-5-8-13/h3-12H,2H2,1H3,(H,20,21).
What are the key properties of N-[5-(benzenesulfonyl)quinolin-8-yl]propanamide?
N-[5-(benzenesulfonyl)quinolin-8-yl]propanamide has a molecular weight of 340.40 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(benzenesulfonyl)quinolin-8-yl]propanamide is sourced from PubChem (CID 139094633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).