N-(3,4-dimethylphenyl)-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]methanesulfonamide

C16H24N2O4S — CID 961816

IUPACN-(3,4-dimethylphenyl)-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]methanesulfonamide
SMILESCc1ccc(N([C@H](C)C(=O)N2CCOCC2)S(C)(=O)=O)cc1C
InChIInChI=1S/C16H24N2O4S/c1-12-5-6-15(11-13(12)2)18(23(4,20)21)14(3)16(19)17-7-9-22-10-8-17/h5-6,11,14H,7-10H2,1-4H3/t14-/m1/s1
InChIKeyNANNWEXNZOCELE-CQSZACIVSA-N
MW340.45 g/mol
LogP1.32
Rot. Bonds4

About N-(3,4-dimethylphenyl)-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]methanesulfonamide

N-(3,4-dimethylphenyl)-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]methanesulfonamide (PubChem CID 961816) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]methanesulfonamide
PubChem CID961816
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC NameN-(3,4-dimethylphenyl)-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]methanesulfonamide
SMILESCc1ccc(N([C@H](C)C(=O)N2CCOCC2)S(C)(=O)=O)cc1C
InChIInChI=1S/C16H24N2O4S/c1-12-5-6-15(11-13(12)2)18(23(4,20)21)14(3)16(19)17-7-9-22-10-8-17/h5-6,11,14H,7-10H2,1-4H3/t14-/m1/s1
InChIKeyNANNWEXNZOCELE-CQSZACIVSA-N
XLogP1.32
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(azepan-1-yl)-1-oxopropan-2-yl]-N-(3,4-dimethylphenyl)methanesulfonamide
CID 2975386
N-(3,4-dimethylphenyl)-N-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]methanesulfonamide
CID 1251029
N-(3-methylphenyl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]methanesulfonamide
CID 95119028
N-(4-ethylphenyl)-N-(1-morpholin-4-yl-1-oxopropan-2-yl)methanesulfonamide
CID 50944900
N-(3,4-dimethylphenyl)-N-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
CID 2972905
ethyl 1-[2-(3,4-dimethyl-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxylate
CID 2980911
N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-N-(4-phenoxyphenyl)methanesulfonamide
CID 1076298
2-(3,4-dimethyl-N-methylsulfonylanilino)-N,N-dimethylpropanamide
CID 5227443
ethyl (2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanoate
CID 124550686
N-(3,4-dimethoxyphenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]methanesulfonamide
CID 95118554
(2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 125072410
N-(3,4-dimethoxyphenyl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]methanesulfonamide
CID 95118793

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]methanesulfonamide?
The IUPAC name of N-(3,4-dimethylphenyl)-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]methanesulfonamide (CID 961816) is N-(3,4-dimethylphenyl)-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]methanesulfonamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]methanesulfonamide is Cc1ccc(N([C@H](C)C(=O)N2CCOCC2)S(C)(=O)=O)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]methanesulfonamide?
The InChIKey is NANNWEXNZOCELE-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-12-5-6-15(11-13(12)2)18(23(4,20)21)14(3)16(19)17-7-9-22-10-8-17/h5-6,11,14H,7-10H2,1-4H3/t14-/m1/s1.
What are the key properties of N-(3,4-dimethylphenyl)-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]methanesulfonamide?
N-(3,4-dimethylphenyl)-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]methanesulfonamide has a molecular weight of 340.45 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]methanesulfonamide is sourced from PubChem (CID 961816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).