N-[4-(methanesulfonamidomethyl)phenyl]-2-methylpropanamide

C12H18N2O3S — CID 51331356

IUPACN-[4-(methanesulfonamidomethyl)phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1
InChIInChI=1S/C12H18N2O3S/c1-9(2)12(15)14-11-6-4-10(5-7-11)8-13-18(3,16)17/h4-7,9,13H,8H2,1-3H3,(H,14,15)
InChIKeyBMDKEQFAOUNWKR-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.33
Rot. Bonds5

About N-[4-(methanesulfonamidomethyl)phenyl]-2-methylpropanamide

N-[4-(methanesulfonamidomethyl)phenyl]-2-methylpropanamide (PubChem CID 51331356) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-[4-(methanesulfonamidomethyl)phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-(methanesulfonamidomethyl)phenyl]-2-methylpropanamide
PubChem CID51331356
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-[4-(methanesulfonamidomethyl)phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1
InChIInChI=1S/C12H18N2O3S/c1-9(2)12(15)14-11-6-4-10(5-7-11)8-13-18(3,16)17/h4-7,9,13H,8H2,1-3H3,(H,14,15)
InChIKeyBMDKEQFAOUNWKR-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydroindol-1-yl)-N-[4-(methanesulfonamidomethyl)phenyl]propanamide
CID 75494168
N-[4-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]-2-methylpropanamide;hydrochloride
CID 119277416
N-[4-[(4-bromophenyl)methylamino]phenyl]-2-methylpropanamide
CID 43230530
N-[4-[(2-aminopropanoylamino)methyl]phenyl]-2-methylpropanamide;hydrochloride
CID 119277407
2-methyl-3-[[4-(2-methylpropanoylamino)phenyl]methylamino]-3-oxopropanoic acid
CID 114897148
2-methyl-N-(4-propylphenyl)propanamide
CID 58658667
N-[4-[(4-acetamidophenyl)methyl]phenyl]-2-methylpropanamide
CID 130256848
3-amino-2-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]propanamide
CID 62668740
4-[(carbamoylamino)methyl]-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 36557221
N-[4-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]-2-methylpropanamide
CID 18151252
N-[4-[(2-acetamidopropanoylamino)methyl]phenyl]-2-methylpropanamide
CID 42936966
2-amino-3-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]butanamide;hydrochloride
CID 119277422

Frequently Asked Questions

What is the IUPAC name of N-[4-(methanesulfonamidomethyl)phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-(methanesulfonamidomethyl)phenyl]-2-methylpropanamide (CID 51331356) is N-[4-(methanesulfonamidomethyl)phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-(methanesulfonamidomethyl)phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-(methanesulfonamidomethyl)phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1.
What is the InChIKey of N-[4-(methanesulfonamidomethyl)phenyl]-2-methylpropanamide?
The InChIKey is BMDKEQFAOUNWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-9(2)12(15)14-11-6-4-10(5-7-11)8-13-18(3,16)17/h4-7,9,13H,8H2,1-3H3,(H,14,15).
What are the key properties of N-[4-(methanesulfonamidomethyl)phenyl]-2-methylpropanamide?
N-[4-(methanesulfonamidomethyl)phenyl]-2-methylpropanamide has a molecular weight of 270.35 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methanesulfonamidomethyl)phenyl]-2-methylpropanamide is sourced from PubChem (CID 51331356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).