N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]acetamide

C17H18N2O3S — CID 720097

IUPACN-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C17H18N2O3S/c1-13(20)18-15-8-10-16(11-9-15)23(21,22)19-12-4-6-14-5-2-3-7-17(14)19/h2-3,5,7-11H,4,6,12H2,1H3,(H,18,20)
InChIKeyNFQHLWBYXDKLQZ-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.79
Rot. Bonds3

About N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]acetamide

N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]acetamide (PubChem CID 720097) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]acetamide
PubChem CID720097
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C17H18N2O3S/c1-13(20)18-15-8-10-16(11-9-15)23(21,22)19-12-4-6-14-5-2-3-7-17(14)19/h2-3,5,7-11H,4,6,12H2,1H3,(H,18,20)
InChIKeyNFQHLWBYXDKLQZ-UHFFFAOYSA-N
XLogP2.79
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]acetamide?
The IUPAC name of N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]acetamide (CID 720097) is N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]acetamide?
The canonical SMILES for N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1.
What is the InChIKey of N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]acetamide?
The InChIKey is NFQHLWBYXDKLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-13(20)18-15-8-10-16(11-9-15)23(21,22)19-12-4-6-14-5-2-3-7-17(14)19/h2-3,5,7-11H,4,6,12H2,1H3,(H,18,20).
What are the key properties of N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]acetamide?
N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]acetamide has a molecular weight of 330.41 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]acetamide is sourced from PubChem (CID 720097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).