(2S)-N,N-dimethyl-2-[(9-phenyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]propanamide

C22H22N2O3S — CID 34418328

IUPAC(2S)-N,N-dimethyl-2-[(9-phenyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]propanamide
SMILESC[C@H](Sc1cc(-c2ccccc2)c2cc3c(cc2n1)OCCO3)C(=O)N(C)C
InChIInChI=1S/C22H22N2O3S/c1-14(22(25)24(2)3)28-21-12-16(15-7-5-4-6-8-15)17-11-19-20(13-18(17)23-21)27-10-9-26-19/h4-8,11-14H,9-10H2,1-3H3/t14-/m0/s1
InChIKeyGHVRZRZZWPRKGL-AWEZNQCLSA-N
MW394.50 g/mol
LogP4.24
Rot. Bonds4

About (2S)-N,N-dimethyl-2-[(9-phenyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]propanamide

(2S)-N,N-dimethyl-2-[(9-phenyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]propanamide (PubChem CID 34418328) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is (2S)-N,N-dimethyl-2-[(9-phenyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]propanamide.

Molecular Properties

Compound Name(2S)-N,N-dimethyl-2-[(9-phenyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]propanamide
PubChem CID34418328
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC Name(2S)-N,N-dimethyl-2-[(9-phenyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]propanamide
SMILESC[C@H](Sc1cc(-c2ccccc2)c2cc3c(cc2n1)OCCO3)C(=O)N(C)C
InChIInChI=1S/C22H22N2O3S/c1-14(22(25)24(2)3)28-21-12-16(15-7-5-4-6-8-15)17-11-19-20(13-18(17)23-21)27-10-9-26-19/h4-8,11-14H,9-10H2,1-3H3/t14-/m0/s1
InChIKeyGHVRZRZZWPRKGL-AWEZNQCLSA-N
XLogP4.24
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-N,N-dimethyl-2-[(9-phenyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]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-[(9-phenyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)oxy]phenyl]acetamide
CID 3926645
(2R)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 2548817
(2R)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 25349930
(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-methyl-N-phenylpropanamide
CID 2606767
N,N-dimethyl-7-phenyl-2,3-dihydrobenzo[g][1,4]benzodioxin-9-amine
CID 152646353
(2R)-2-(4-methylquinolin-2-yl)sulfanyl-1-morpholin-4-ylpropan-1-one
CID 41138346
3-acetyl-3-(3-phenylquinolin-2-yl)oxolan-2-one
CID 166444977
3-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-ylsulfanyl)butanoic acid
CID 106536832
(2R)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-2-phenylacetamide
CID 42488590
7-(3-chlorophenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid
CID 18073477
(2R)-N,N-dimethyl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide
CID 40670366
N-(2-methoxydibenzofuran-3-yl)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylpropanamide
CID 4679253

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-dimethyl-2-[(9-phenyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]propanamide?
The IUPAC name of (2S)-N,N-dimethyl-2-[(9-phenyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]propanamide (CID 34418328) is (2S)-N,N-dimethyl-2-[(9-phenyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]propanamide.
What is the SMILES notation for (2S)-N,N-dimethyl-2-[(9-phenyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]propanamide?
The canonical SMILES for (2S)-N,N-dimethyl-2-[(9-phenyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]propanamide is C[C@H](Sc1cc(-c2ccccc2)c2cc3c(cc2n1)OCCO3)C(=O)N(C)C.
What is the InChIKey of (2S)-N,N-dimethyl-2-[(9-phenyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]propanamide?
The InChIKey is GHVRZRZZWPRKGL-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-14(22(25)24(2)3)28-21-12-16(15-7-5-4-6-8-15)17-11-19-20(13-18(17)23-21)27-10-9-26-19/h4-8,11-14H,9-10H2,1-3H3/t14-/m0/s1.
What are the key properties of (2S)-N,N-dimethyl-2-[(9-phenyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]propanamide?
(2S)-N,N-dimethyl-2-[(9-phenyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]propanamide has a molecular weight of 394.50 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-dimethyl-2-[(9-phenyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]propanamide is sourced from PubChem (CID 34418328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).