N-[4-(methanesulfonamido)phenyl]-4-methylpentanamide

C13H20N2O3S — CID 29357603

IUPACN-[4-(methanesulfonamido)phenyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)Nc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C13H20N2O3S/c1-10(2)4-9-13(16)14-11-5-7-12(8-6-11)15-19(3,17)18/h5-8,10,15H,4,9H2,1-3H3,(H,14,16)
InChIKeyNSCOMPBXPHXOLI-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.43
Rot. Bonds6

About N-[4-(methanesulfonamido)phenyl]-4-methylpentanamide

N-[4-(methanesulfonamido)phenyl]-4-methylpentanamide (PubChem CID 29357603) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[4-(methanesulfonamido)phenyl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[4-(methanesulfonamido)phenyl]-4-methylpentanamide
PubChem CID29357603
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-[4-(methanesulfonamido)phenyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)Nc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C13H20N2O3S/c1-10(2)4-9-13(16)14-11-5-7-12(8-6-11)15-19(3,17)18/h5-8,10,15H,4,9H2,1-3H3,(H,14,16)
InChIKeyNSCOMPBXPHXOLI-UHFFFAOYSA-N
XLogP2.43
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[4-(methanesulfonamido)phenyl]butanamide
CID 60836339
N-(4-bromophenyl)-4-methylpentanamide
CID 28780538
N-[4-(methanesulfonamido)phenyl]-4-phenoxybutanamide
CID 30784558
4-amino-N-[3-(methanesulfonamido)phenyl]pentanamide;hydrochloride
CID 120559877
3-(3-but-3-ynyldiazirin-3-yl)-N-[4-(methanesulfonamido)phenyl]propanamide
CID 167985239
3-[(4-fluorophenyl)sulfonylamino]-N-[4-(methanesulfonamido)phenyl]propanamide
CID 25373946
N'-[4-(methanesulfonamido)phenyl]-2-methylpropanediamide
CID 173077948
(4S)-N-ethyl-4-hydroxy-4-[4-(methanesulfonamido)phenyl]butanamide
CID 10685624
N-[4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylpentanamide
CID 60803615
N-[4-[(2R)-2-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]-4-methylpentanamide
CID 167077697
ethyl 4-(4-methylpentanoylamino)benzoate
CID 43404103
N-(3-amino-4-methylphenyl)-4-methylpentanamide
CID 28776905

Frequently Asked Questions

What is the IUPAC name of N-[4-(methanesulfonamido)phenyl]-4-methylpentanamide?
The IUPAC name of N-[4-(methanesulfonamido)phenyl]-4-methylpentanamide (CID 29357603) is N-[4-(methanesulfonamido)phenyl]-4-methylpentanamide.
What is the SMILES notation for N-[4-(methanesulfonamido)phenyl]-4-methylpentanamide?
The canonical SMILES for N-[4-(methanesulfonamido)phenyl]-4-methylpentanamide is CC(C)CCC(=O)Nc1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-[4-(methanesulfonamido)phenyl]-4-methylpentanamide?
The InChIKey is NSCOMPBXPHXOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10(2)4-9-13(16)14-11-5-7-12(8-6-11)15-19(3,17)18/h5-8,10,15H,4,9H2,1-3H3,(H,14,16).
What are the key properties of N-[4-(methanesulfonamido)phenyl]-4-methylpentanamide?
N-[4-(methanesulfonamido)phenyl]-4-methylpentanamide has a molecular weight of 284.38 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methanesulfonamido)phenyl]-4-methylpentanamide is sourced from PubChem (CID 29357603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).