N-(3,4-dimethylphenyl)-3-(methanesulfonamido)propanamide

C12H18N2O3S — CID 47028344

IUPACN-(3,4-dimethylphenyl)-3-(methanesulfonamido)propanamide
SMILESCc1ccc(NC(=O)CCNS(C)(=O)=O)cc1C
InChIInChI=1S/C12H18N2O3S/c1-9-4-5-11(8-10(9)2)14-12(15)6-7-13-18(3,16)17/h4-5,8,13H,6-7H2,1-3H3,(H,14,15)
InChIKeyKNMSXIHIVYFTEH-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.18
Rot. Bonds5

About N-(3,4-dimethylphenyl)-3-(methanesulfonamido)propanamide

N-(3,4-dimethylphenyl)-3-(methanesulfonamido)propanamide (PubChem CID 47028344) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-(methanesulfonamido)propanamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-(methanesulfonamido)propanamide
PubChem CID47028344
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-(3,4-dimethylphenyl)-3-(methanesulfonamido)propanamide
SMILESCc1ccc(NC(=O)CCNS(C)(=O)=O)cc1C
InChIInChI=1S/C12H18N2O3S/c1-9-4-5-11(8-10(9)2)14-12(15)6-7-13-18(3,16)17/h4-5,8,13H,6-7H2,1-3H3,(H,14,15)
InChIKeyKNMSXIHIVYFTEH-UHFFFAOYSA-N
XLogP1.18
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-iodo-4-methylphenyl)propanamide
CID 26890848
3-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113142293
N-(3-ethynylphenyl)-3-(methanesulfonamido)propanamide
CID 47028332
N-(3,4-dichlorophenyl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 2402359
N-(3,4-dimethylphenyl)-4-(methylamino)butanamide
CID 60842744
3-(4-bromoanilino)-N-(3,4-dimethylphenyl)propanamide
CID 109035446
3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]propanamide
CID 43710308
N-(3,4-dimethylphenyl)dodecanamide
CID 4067786
N-(3,4-dimethylphenyl)-3-(3-methylbutylamino)propanamide
CID 109032012
N-(3,4-dimethylphenyl)-3-(2-methylanilino)propanamide
CID 109034069
N-(3,4-dimethylphenyl)-3-(N-methylsulfonylanilino)propanamide
CID 113141510
3-[(4-bromophenyl)carbamoylamino]-N-(3,4-dimethylphenyl)propanamide
CID 55765106

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-(methanesulfonamido)propanamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-(methanesulfonamido)propanamide (CID 47028344) is N-(3,4-dimethylphenyl)-3-(methanesulfonamido)propanamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-(methanesulfonamido)propanamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-(methanesulfonamido)propanamide is Cc1ccc(NC(=O)CCNS(C)(=O)=O)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-(methanesulfonamido)propanamide?
The InChIKey is KNMSXIHIVYFTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-9-4-5-11(8-10(9)2)14-12(15)6-7-13-18(3,16)17/h4-5,8,13H,6-7H2,1-3H3,(H,14,15).
What are the key properties of N-(3,4-dimethylphenyl)-3-(methanesulfonamido)propanamide?
N-(3,4-dimethylphenyl)-3-(methanesulfonamido)propanamide has a molecular weight of 270.35 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-(methanesulfonamido)propanamide is sourced from PubChem (CID 47028344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).