(2S)-2-methylsulfonyl-N-(4-quinolin-8-yloxyphenyl)propanamide

C19H18N2O4S — CID 52519697

IUPAC(2S)-2-methylsulfonyl-N-(4-quinolin-8-yloxyphenyl)propanamide
SMILESC[C@@H](C(=O)Nc1ccc(Oc2cccc3cccnc23)cc1)S(C)(=O)=O
InChIInChI=1S/C19H18N2O4S/c1-13(26(2,23)24)19(22)21-15-8-10-16(11-9-15)25-17-7-3-5-14-6-4-12-20-18(14)17/h3-13H,1-2H3,(H,21,22)/t13-/m0/s1
InChIKeyGKOPTLTXYFHYRO-ZDUSSCGKSA-N
MW370.43 g/mol
LogP3.40
Rot. Bonds5

About (2S)-2-methylsulfonyl-N-(4-quinolin-8-yloxyphenyl)propanamide

(2S)-2-methylsulfonyl-N-(4-quinolin-8-yloxyphenyl)propanamide (PubChem CID 52519697) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is (2S)-2-methylsulfonyl-N-(4-quinolin-8-yloxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-methylsulfonyl-N-(4-quinolin-8-yloxyphenyl)propanamide
PubChem CID52519697
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Name(2S)-2-methylsulfonyl-N-(4-quinolin-8-yloxyphenyl)propanamide
SMILESC[C@@H](C(=O)Nc1ccc(Oc2cccc3cccnc23)cc1)S(C)(=O)=O
InChIInChI=1S/C19H18N2O4S/c1-13(26(2,23)24)19(22)21-15-8-10-16(11-9-15)25-17-7-3-5-14-6-4-12-20-18(14)17/h3-13H,1-2H3,(H,21,22)/t13-/m0/s1
InChIKeyGKOPTLTXYFHYRO-ZDUSSCGKSA-N
XLogP3.40
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-methylsulfonyl-N-(4-quinolin-8-yloxyphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-morpholin-4-ylphenyl)-2-(4-quinolin-8-yloxyanilino)propanamide
CID 60601558
8-(4-methylsulfonylphenoxy)quinoline
CID 11220281
N-prop-2-enyl-2-(4-quinolin-8-yloxyanilino)propanamide
CID 60601662
4-oxo-4-(4-quinolin-8-yloxyanilino)butanoic acid
CID 166181923
(2S,6S)-2,6-dimethyl-N-(4-quinolin-8-yloxyphenyl)morpholine-4-carboxamide
CID 95305079
4-quinolin-8-yloxybenzoic acid
CID 28825287
quinolin-8-yl N-(4-ethoxyphenyl)carbamate
CID 3434150
2-methyl-N-[4-(5-nitroquinolin-8-yl)oxyphenyl]propanamide
CID 133429749
N-[4-(cyanomethoxy)phenyl]-2-methylsulfonylpropanamide
CID 112684914
quinolin-8-yl N-(4-pentoxyphenyl)carbamate
CID 69031420
1-(4-ethoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112976064
quinolin-8-yl N-(4-nonoxyphenyl)carbamate
CID 69032746

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methylsulfonyl-N-(4-quinolin-8-yloxyphenyl)propanamide?
The IUPAC name of (2S)-2-methylsulfonyl-N-(4-quinolin-8-yloxyphenyl)propanamide (CID 52519697) is (2S)-2-methylsulfonyl-N-(4-quinolin-8-yloxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-methylsulfonyl-N-(4-quinolin-8-yloxyphenyl)propanamide?
The canonical SMILES for (2S)-2-methylsulfonyl-N-(4-quinolin-8-yloxyphenyl)propanamide is C[C@@H](C(=O)Nc1ccc(Oc2cccc3cccnc23)cc1)S(C)(=O)=O.
What is the InChIKey of (2S)-2-methylsulfonyl-N-(4-quinolin-8-yloxyphenyl)propanamide?
The InChIKey is GKOPTLTXYFHYRO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-13(26(2,23)24)19(22)21-15-8-10-16(11-9-15)25-17-7-3-5-14-6-4-12-20-18(14)17/h3-13H,1-2H3,(H,21,22)/t13-/m0/s1.
What are the key properties of (2S)-2-methylsulfonyl-N-(4-quinolin-8-yloxyphenyl)propanamide?
(2S)-2-methylsulfonyl-N-(4-quinolin-8-yloxyphenyl)propanamide has a molecular weight of 370.43 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methylsulfonyl-N-(4-quinolin-8-yloxyphenyl)propanamide is sourced from PubChem (CID 52519697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).