N-[4-[4-(methanesulfonamido)phenyl]-2-methylbutan-2-yl]formamide

C13H20N2O3S — CID 88730159

IUPACN-[4-[4-(methanesulfonamido)phenyl]-2-methylbutan-2-yl]formamide
SMILESCC(C)(CCc1ccc(NS(C)(=O)=O)cc1)NC=O
InChIInChI=1S/C13H20N2O3S/c1-13(2,14-10-16)9-8-11-4-6-12(7-5-11)15-19(3,17)18/h4-7,10,15H,8-9H2,1-3H3,(H,14,16)
InChIKeyUUMUWPCGPUMPKA-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.52
Rot. Bonds7

About N-[4-[4-(methanesulfonamido)phenyl]-2-methylbutan-2-yl]formamide

N-[4-[4-(methanesulfonamido)phenyl]-2-methylbutan-2-yl]formamide (PubChem CID 88730159) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[4-[4-(methanesulfonamido)phenyl]-2-methylbutan-2-yl]formamide.

Molecular Properties

Compound NameN-[4-[4-(methanesulfonamido)phenyl]-2-methylbutan-2-yl]formamide
PubChem CID88730159
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-[4-[4-(methanesulfonamido)phenyl]-2-methylbutan-2-yl]formamide
SMILESCC(C)(CCc1ccc(NS(C)(=O)=O)cc1)NC=O
InChIInChI=1S/C13H20N2O3S/c1-13(2,14-10-16)9-8-11-4-6-12(7-5-11)15-19(3,17)18/h4-7,10,15H,8-9H2,1-3H3,(H,14,16)
InChIKeyUUMUWPCGPUMPKA-UHFFFAOYSA-N
XLogP1.52
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[4-(3-hydroxy-3-methylbutyl)phenyl]methanesulfonamide
CID 70523861
N-[4-[4-(methanesulfonamido)phenyl]butyl]formamide
CID 174389661
N-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]methanesulfonamide
CID 159770469
N-[4-(3-hydroxypropyl)phenyl]methanesulfonamide
CID 67712691
N-[4-[4-(methylamino)butyl]phenyl]methanesulfonamide
CID 23316726
N-[4-(methylaminomethyl)phenyl]methanesulfonamide
CID 23545958
N-[4-(aminomethyl)phenyl]methanesulfonamide;ethane
CID 142116771
1-tert-butyl-3-[3-[4-(methanesulfonamido)phenyl]propyl]urea
CID 110664447
potassium;2-(4-tert-butylphenyl)ethyl-hydroxyazanide;N-(4-methylphenyl)methanesulfonamide
CID 142885263
N-[4-(hydrazinylmethyl)phenyl]methanesulfonamide
CID 67149033
4-[4-(methanesulfonamido)phenyl]-2-oxobutanamide
CID 141354301
N-[2-[4-(methanesulfonamido)phenyl]ethyl]-N-methylprop-2-enamide
CID 166429377

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(methanesulfonamido)phenyl]-2-methylbutan-2-yl]formamide?
The IUPAC name of N-[4-[4-(methanesulfonamido)phenyl]-2-methylbutan-2-yl]formamide (CID 88730159) is N-[4-[4-(methanesulfonamido)phenyl]-2-methylbutan-2-yl]formamide.
What is the SMILES notation for N-[4-[4-(methanesulfonamido)phenyl]-2-methylbutan-2-yl]formamide?
The canonical SMILES for N-[4-[4-(methanesulfonamido)phenyl]-2-methylbutan-2-yl]formamide is CC(C)(CCc1ccc(NS(C)(=O)=O)cc1)NC=O.
What is the InChIKey of N-[4-[4-(methanesulfonamido)phenyl]-2-methylbutan-2-yl]formamide?
The InChIKey is UUMUWPCGPUMPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-13(2,14-10-16)9-8-11-4-6-12(7-5-11)15-19(3,17)18/h4-7,10,15H,8-9H2,1-3H3,(H,14,16).
What are the key properties of N-[4-[4-(methanesulfonamido)phenyl]-2-methylbutan-2-yl]formamide?
N-[4-[4-(methanesulfonamido)phenyl]-2-methylbutan-2-yl]formamide has a molecular weight of 284.38 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(methanesulfonamido)phenyl]-2-methylbutan-2-yl]formamide is sourced from PubChem (CID 88730159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).