N-(3,4-dimethylphenyl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide

C17H26N2O4S — CID 113138003

IUPACN-(3,4-dimethylphenyl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide
SMILESCc1ccc(NC(=O)CCN(CC2CCCO2)S(C)(=O)=O)cc1C
InChIInChI=1S/C17H26N2O4S/c1-13-6-7-15(11-14(13)2)18-17(20)8-9-19(24(3,21)22)12-16-5-4-10-23-16/h6-7,11,16H,4-5,8-10,12H2,1-3H3,(H,18,20)
InChIKeyUTFTUQSLLCZOFX-UHFFFAOYSA-N
MW354.47 g/mol
LogP2.07
Rot. Bonds7

About N-(3,4-dimethylphenyl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide

N-(3,4-dimethylphenyl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide (PubChem CID 113138003) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide
PubChem CID113138003
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC NameN-(3,4-dimethylphenyl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide
SMILESCc1ccc(NC(=O)CCN(CC2CCCO2)S(C)(=O)=O)cc1C
InChIInChI=1S/C17H26N2O4S/c1-13-6-7-15(11-14(13)2)18-17(20)8-9-19(24(3,21)22)12-16-5-4-10-23-16/h6-7,11,16H,4-5,8-10,12H2,1-3H3,(H,18,20)
InChIKeyUTFTUQSLLCZOFX-UHFFFAOYSA-N
XLogP2.07
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-N'-(tetrahydrofuran-2-ylmethyl)ethanediamide
CID 3136544
4-[(2-methylbenzyl)(methylsulfonyl)amino]-N-(tetrahydro-2-furanylmethyl)benzamide
CID 3343781
2-{[(Tetrahydro-furan-2-ylmethyl)-carbamoyl]-methanesulfinyl}-N-p-tolyl-acetamide
CID 651444
3-(Dimethyl-morpholin-4-yl)-N-(3,4-dimethyl-phenyl)-propionamide
CID 24746956
N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)oxolane-2-carboxamide
CID 24791865
4-{[(3,4-dimethylphenyl)(methylsulfonyl)amino]methyl}-N-(tetrahydrofuran-2-ylmethyl)benzamide
CID 2898922
N-{2-[(dimethylamino)sulfonyl]-1,2,3,4-tetrahydro-7-isoquinolinyl}tetrahydro-2-furancarboxamide
CID 24793441
N-(2-mesyl-3,4-dihydro-1H-isoquinolin-7-yl)tetrahydrofuran-2-carboxamide
CID 24817352
N-[[(5S)-3-(3-methylsulfonyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 44355317
2-[3,4-dimethyl(methylsulfonyl)anilino]-N-(3-ethoxypropyl)acetamide
CID 1815638
N-[3-[ethyl(oxolan-2-ylmethyl)sulfamoyl]-4-methylphenyl]acetamide
CID 47075400
2-[(4-ethylphenyl)(methylsulfonyl)amino]-N-(oxolan-2-ylmethyl)acetamide
CID 2929871

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide (CID 113138003) is N-(3,4-dimethylphenyl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide is Cc1ccc(NC(=O)CCN(CC2CCCO2)S(C)(=O)=O)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide?
The InChIKey is UTFTUQSLLCZOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-13-6-7-15(11-14(13)2)18-17(20)8-9-19(24(3,21)22)12-16-5-4-10-23-16/h6-7,11,16H,4-5,8-10,12H2,1-3H3,(H,18,20).
What are the key properties of N-(3,4-dimethylphenyl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide?
N-(3,4-dimethylphenyl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide has a molecular weight of 354.47 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide is sourced from PubChem (CID 113138003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).