N,N-dimethyl-3-[[(R)-[(2R)-1-oxo-1-(propylamino)propan-2-yl]sulfinyl]methyl]benzamide

C16H24N2O3S — CID 96548308

IUPACN,N-dimethyl-3-[[(R)-[(2R)-1-oxo-1-(propylamino)propan-2-yl]sulfinyl]methyl]benzamide
SMILESCCCNC(=O)[C@@H](C)[S@](=O)Cc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C16H24N2O3S/c1-5-9-17-15(19)12(2)22(21)11-13-7-6-8-14(10-13)16(20)18(3)4/h6-8,10,12H,5,9,11H2,1-4H3,(H,17,19)/t12-,22-/m1/s1
InChIKeyUXOBQTWTOAJOFO-VERVWZFWSA-N
MW324.45 g/mol
LogP1.55
Rot. Bonds7

About N,N-dimethyl-3-[[(R)-[(2R)-1-oxo-1-(propylamino)propan-2-yl]sulfinyl]methyl]benzamide

N,N-dimethyl-3-[[(R)-[(2R)-1-oxo-1-(propylamino)propan-2-yl]sulfinyl]methyl]benzamide (PubChem CID 96548308) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N,N-dimethyl-3-[[(R)-[(2R)-1-oxo-1-(propylamino)propan-2-yl]sulfinyl]methyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[(R)-[(2R)-1-oxo-1-(propylamino)propan-2-yl]sulfinyl]methyl]benzamide
PubChem CID96548308
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN,N-dimethyl-3-[[(R)-[(2R)-1-oxo-1-(propylamino)propan-2-yl]sulfinyl]methyl]benzamide
SMILESCCCNC(=O)[C@@H](C)[S@](=O)Cc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C16H24N2O3S/c1-5-9-17-15(19)12(2)22(21)11-13-7-6-8-14(10-13)16(20)18(3)4/h6-8,10,12H,5,9,11H2,1-4H3,(H,17,19)/t12-,22-/m1/s1
InChIKeyUXOBQTWTOAJOFO-VERVWZFWSA-N
XLogP1.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,N-dimethyl-3-[[(R)-[(2R)-1-oxo-1-(propylamino)propan-2-yl]sulfinyl]methyl]benzamide 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

(2R)-2-[(R)-(3-methylphenyl)methylsulfinyl]-N-propylpropanamide
CID 95329730
(2R)-2-[(S)-(3-chlorophenyl)methylsulfinyl]-N-propylpropanamide
CID 95329028
(2S)-2-[(S)-(3-fluorophenyl)methylsulfinyl]-N-propylpropanamide
CID 95332184
(2R)-N-propyl-2-[(S)-[3-(trifluoromethyl)phenyl]methylsulfinyl]propanamide
CID 95330378
N,N-dimethyl-3-(2-methylpropyl)benzamide
CID 59462491
N,N-dimethyl-3-(propan-2-yloxymethyl)benzamide
CID 140929179
3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N,N-dimethylbenzamide;hydrochloride
CID 119287449
2-[(3-carbamothioylphenyl)methyl-methylamino]-N-propylpropanamide
CID 62966542
N,N-dimethyl-3-(methylaminomethyl)benzamide
CID 83814364
3-[(2-ethylanilino)methyl]-N,N-dimethylbenzamide
CID 84558207
3-[[(R)-(2,5-dimethylphenyl)methylsulfinyl]methyl]-N,N-dimethylbenzamide
CID 95316778
N,N-dimethyl-3-[2-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]ethyl]benzamide
CID 111771916

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[(R)-[(2R)-1-oxo-1-(propylamino)propan-2-yl]sulfinyl]methyl]benzamide?
The IUPAC name of N,N-dimethyl-3-[[(R)-[(2R)-1-oxo-1-(propylamino)propan-2-yl]sulfinyl]methyl]benzamide (CID 96548308) is N,N-dimethyl-3-[[(R)-[(2R)-1-oxo-1-(propylamino)propan-2-yl]sulfinyl]methyl]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[[(R)-[(2R)-1-oxo-1-(propylamino)propan-2-yl]sulfinyl]methyl]benzamide?
The canonical SMILES for N,N-dimethyl-3-[[(R)-[(2R)-1-oxo-1-(propylamino)propan-2-yl]sulfinyl]methyl]benzamide is CCCNC(=O)[C@@H](C)[S@](=O)Cc1cccc(C(=O)N(C)C)c1.
What is the InChIKey of N,N-dimethyl-3-[[(R)-[(2R)-1-oxo-1-(propylamino)propan-2-yl]sulfinyl]methyl]benzamide?
The InChIKey is UXOBQTWTOAJOFO-VERVWZFWSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-5-9-17-15(19)12(2)22(21)11-13-7-6-8-14(10-13)16(20)18(3)4/h6-8,10,12H,5,9,11H2,1-4H3,(H,17,19)/t12-,22-/m1/s1.
What are the key properties of N,N-dimethyl-3-[[(R)-[(2R)-1-oxo-1-(propylamino)propan-2-yl]sulfinyl]methyl]benzamide?
N,N-dimethyl-3-[[(R)-[(2R)-1-oxo-1-(propylamino)propan-2-yl]sulfinyl]methyl]benzamide has a molecular weight of 324.45 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[(R)-[(2R)-1-oxo-1-(propylamino)propan-2-yl]sulfinyl]methyl]benzamide is sourced from PubChem (CID 96548308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).