N,N-dimethyl-3-(2-methylsulfonylanilino)propanamide

C12H18N2O3S — CID 54934964

IUPACN,N-dimethyl-3-(2-methylsulfonylanilino)propanamide
SMILESCN(C)C(=O)CCNc1ccccc1S(C)(=O)=O
InChIInChI=1S/C12H18N2O3S/c1-14(2)12(15)8-9-13-10-6-4-5-7-11(10)18(3,16)17/h4-7,13H,8-9H2,1-3H3
InChIKeyTZJWXYSKJMVWSW-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.98
Rot. Bonds5

About N,N-dimethyl-3-(2-methylsulfonylanilino)propanamide

N,N-dimethyl-3-(2-methylsulfonylanilino)propanamide (PubChem CID 54934964) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N,N-dimethyl-3-(2-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(2-methylsulfonylanilino)propanamide
PubChem CID54934964
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN,N-dimethyl-3-(2-methylsulfonylanilino)propanamide
SMILESCN(C)C(=O)CCNc1ccccc1S(C)(=O)=O
InChIInChI=1S/C12H18N2O3S/c1-14(2)12(15)8-9-13-10-6-4-5-7-11(10)18(3,16)17/h4-7,13H,8-9H2,1-3H3
InChIKeyTZJWXYSKJMVWSW-UHFFFAOYSA-N
XLogP0.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(difluoromethylsulfonyl)anilino]-N,N-dimethylpropanamide
CID 60925281
3-(2-ethylanilino)-N,N-dimethylpropanamide
CID 60961204
3-anilino-N,N-dimethylpropanamide
CID 60961994
N,N-dimethyl-2-(2-methylsulfonylphenyl)acetamide
CID 110436884
N'-(2-methylsulfonylphenyl)propane-1,3-diamine
CID 43453491
2-methylsulfonyl-N-(2-phenylethyl)aniline
CID 43388007
3-[(2-amino-3-pyridinyl)amino]-N,N-dimethylpropanamide
CID 104540220
N,N-dimethyl-3-(2-methyl-3-nitroanilino)propanamide
CID 63076224
3-[(2-methylsulfonylphenyl)sulfamoyl]propanoic acid
CID 43361847
4-[2-(2-methylsulfonylanilino)ethyl]phenol
CID 61237844
3-[(3-bromo-2-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 71982237
1,1-dimethyl-3-[(2-methylsulfonylphenyl)methyl]urea
CID 110470450

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(2-methylsulfonylanilino)propanamide?
The IUPAC name of N,N-dimethyl-3-(2-methylsulfonylanilino)propanamide (CID 54934964) is N,N-dimethyl-3-(2-methylsulfonylanilino)propanamide.
What is the SMILES notation for N,N-dimethyl-3-(2-methylsulfonylanilino)propanamide?
The canonical SMILES for N,N-dimethyl-3-(2-methylsulfonylanilino)propanamide is CN(C)C(=O)CCNc1ccccc1S(C)(=O)=O.
What is the InChIKey of N,N-dimethyl-3-(2-methylsulfonylanilino)propanamide?
The InChIKey is TZJWXYSKJMVWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-14(2)12(15)8-9-13-10-6-4-5-7-11(10)18(3,16)17/h4-7,13H,8-9H2,1-3H3.
What are the key properties of N,N-dimethyl-3-(2-methylsulfonylanilino)propanamide?
N,N-dimethyl-3-(2-methylsulfonylanilino)propanamide has a molecular weight of 270.35 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(2-methylsulfonylanilino)propanamide is sourced from PubChem (CID 54934964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).