N-[4-(methanesulfonamido)-3-methylphenyl]-2-methylpropanamide

C12H18N2O3S — CID 34169606

IUPACN-[4-(methanesulfonamido)-3-methylphenyl]-2-methylpropanamide
SMILESCc1cc(NC(=O)C(C)C)ccc1NS(C)(=O)=O
InChIInChI=1S/C12H18N2O3S/c1-8(2)12(15)13-10-5-6-11(9(3)7-10)14-18(4,16)17/h5-8,14H,1-4H3,(H,13,15)
InChIKeyLIGMYZMCKRUHKT-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.96
Rot. Bonds4

About N-[4-(methanesulfonamido)-3-methylphenyl]-2-methylpropanamide

N-[4-(methanesulfonamido)-3-methylphenyl]-2-methylpropanamide (PubChem CID 34169606) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-[4-(methanesulfonamido)-3-methylphenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-(methanesulfonamido)-3-methylphenyl]-2-methylpropanamide
PubChem CID34169606
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-[4-(methanesulfonamido)-3-methylphenyl]-2-methylpropanamide
SMILESCc1cc(NC(=O)C(C)C)ccc1NS(C)(=O)=O
InChIInChI=1S/C12H18N2O3S/c1-8(2)12(15)13-10-5-6-11(9(3)7-10)14-18(4,16)17/h5-8,14H,1-4H3,(H,13,15)
InChIKeyLIGMYZMCKRUHKT-UHFFFAOYSA-N
XLogP1.96
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(methanesulfonamido)-3-methylphenyl]-2-methyl-3-(methylamino)propanamide
CID 79195858
4-amino-N-[4-(methanesulfonamido)-3-methylphenyl]-3-methylbutanamide
CID 81076245
N-[4-(methanesulfonamido)-3-methylphenyl]but-2-enamide
CID 112727081
N-[4-(methanesulfonamido)-3-methylphenyl]-2-methyl-2-(methylamino)propanamide
CID 62835077
3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]propanamide
CID 43710308
2-amino-2-ethyl-N-[4-(methanesulfonamido)-3-methylphenyl]butanamide
CID 79813982
2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]propanamide
CID 43711074
N-[2-(methanesulfonamido)phenyl]-2-methylpropanamide
CID 47169208
N-(4-bromo-3-methylphenyl)-4-(methanesulfonamido)-3-methylbenzamide
CID 19062672
2-methyl-N-[4-methyl-3-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 47041621
N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methylpropanamide
CID 25342391
N-[3-(aminomethyl)-4-methylphenyl]-2-methylpropanamide
CID 82507167

Frequently Asked Questions

What is the IUPAC name of N-[4-(methanesulfonamido)-3-methylphenyl]-2-methylpropanamide?
The IUPAC name of N-[4-(methanesulfonamido)-3-methylphenyl]-2-methylpropanamide (CID 34169606) is N-[4-(methanesulfonamido)-3-methylphenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-(methanesulfonamido)-3-methylphenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-(methanesulfonamido)-3-methylphenyl]-2-methylpropanamide is Cc1cc(NC(=O)C(C)C)ccc1NS(C)(=O)=O.
What is the InChIKey of N-[4-(methanesulfonamido)-3-methylphenyl]-2-methylpropanamide?
The InChIKey is LIGMYZMCKRUHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-8(2)12(15)13-10-5-6-11(9(3)7-10)14-18(4,16)17/h5-8,14H,1-4H3,(H,13,15).
What are the key properties of N-[4-(methanesulfonamido)-3-methylphenyl]-2-methylpropanamide?
N-[4-(methanesulfonamido)-3-methylphenyl]-2-methylpropanamide has a molecular weight of 270.35 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methanesulfonamido)-3-methylphenyl]-2-methylpropanamide is sourced from PubChem (CID 34169606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).