N-[4-[2-[2-(2-oxoquinolin-1-yl)propylamino]acetyl]phenyl]methanesulfonamide

C21H23N3O4S — CID 57030227

IUPACN-[4-[2-[2-(2-oxoquinolin-1-yl)propylamino]acetyl]phenyl]methanesulfonamide
SMILESCC(CNCC(=O)c1ccc(NS(C)(=O)=O)cc1)n1c(=O)ccc2ccccc21
InChIInChI=1S/C21H23N3O4S/c1-15(24-19-6-4-3-5-16(19)9-12-21(24)26)13-22-14-20(25)17-7-10-18(11-8-17)23-29(2,27)28/h3-12,15,22-23H,13-14H2,1-2H3
InChIKeyPFNGFLAWLRPOGJ-UHFFFAOYSA-N
MW413.50 g/mol
LogP2.41
Rot. Bonds8

About N-[4-[2-[2-(2-oxoquinolin-1-yl)propylamino]acetyl]phenyl]methanesulfonamide

N-[4-[2-[2-(2-oxoquinolin-1-yl)propylamino]acetyl]phenyl]methanesulfonamide (PubChem CID 57030227) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-[4-[2-[2-(2-oxoquinolin-1-yl)propylamino]acetyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[2-(2-oxoquinolin-1-yl)propylamino]acetyl]phenyl]methanesulfonamide
PubChem CID57030227
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC NameN-[4-[2-[2-(2-oxoquinolin-1-yl)propylamino]acetyl]phenyl]methanesulfonamide
SMILESCC(CNCC(=O)c1ccc(NS(C)(=O)=O)cc1)n1c(=O)ccc2ccccc21
InChIInChI=1S/C21H23N3O4S/c1-15(24-19-6-4-3-5-16(19)9-12-21(24)26)13-22-14-20(25)17-7-10-18(11-8-17)23-29(2,27)28/h3-12,15,22-23H,13-14H2,1-2H3
InChIKeyPFNGFLAWLRPOGJ-UHFFFAOYSA-N
XLogP2.41
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(2-oxoquinolin-1-yl)propylamino]acetyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-[2-(2-oxoquinolin-1-yl)propylamino]acetyl]phenyl]methanesulfonamide (CID 57030227) is N-[4-[2-[2-(2-oxoquinolin-1-yl)propylamino]acetyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-[2-(2-oxoquinolin-1-yl)propylamino]acetyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-[2-(2-oxoquinolin-1-yl)propylamino]acetyl]phenyl]methanesulfonamide is CC(CNCC(=O)c1ccc(NS(C)(=O)=O)cc1)n1c(=O)ccc2ccccc21.
What is the InChIKey of N-[4-[2-[2-(2-oxoquinolin-1-yl)propylamino]acetyl]phenyl]methanesulfonamide?
The InChIKey is PFNGFLAWLRPOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-15(24-19-6-4-3-5-16(19)9-12-21(24)26)13-22-14-20(25)17-7-10-18(11-8-17)23-29(2,27)28/h3-12,15,22-23H,13-14H2,1-2H3.
What are the key properties of N-[4-[2-[2-(2-oxoquinolin-1-yl)propylamino]acetyl]phenyl]methanesulfonamide?
N-[4-[2-[2-(2-oxoquinolin-1-yl)propylamino]acetyl]phenyl]methanesulfonamide has a molecular weight of 413.50 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(2-oxoquinolin-1-yl)propylamino]acetyl]phenyl]methanesulfonamide is sourced from PubChem (CID 57030227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).