N-[3-[(4-methoxy-4-methylpentan-2-yl)amino]phenyl]methanesulfonamide

C14H24N2O3S — CID 43147236

IUPACN-[3-[(4-methoxy-4-methylpentan-2-yl)amino]phenyl]methanesulfonamide
SMILESCOC(C)(C)CC(C)Nc1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C14H24N2O3S/c1-11(10-14(2,3)19-4)15-12-7-6-8-13(9-12)16-20(5,17)18/h6-9,11,15-16H,10H2,1-5H3
InChIKeyBIAOITQMQWWYNJ-UHFFFAOYSA-N
MW300.42 g/mol
LogP2.67
Rot. Bonds7

About N-[3-[(4-methoxy-4-methylpentan-2-yl)amino]phenyl]methanesulfonamide

N-[3-[(4-methoxy-4-methylpentan-2-yl)amino]phenyl]methanesulfonamide (PubChem CID 43147236) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is N-[3-[(4-methoxy-4-methylpentan-2-yl)amino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(4-methoxy-4-methylpentan-2-yl)amino]phenyl]methanesulfonamide
PubChem CID43147236
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC NameN-[3-[(4-methoxy-4-methylpentan-2-yl)amino]phenyl]methanesulfonamide
SMILESCOC(C)(C)CC(C)Nc1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C14H24N2O3S/c1-11(10-14(2,3)19-4)15-12-7-6-8-13(9-12)16-20(5,17)18/h6-9,11,15-16H,10H2,1-5H3
InChIKeyBIAOITQMQWWYNJ-UHFFFAOYSA-N
XLogP2.67
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methoxymethyl)-N-(4-methoxy-4-methylpentan-2-yl)aniline
CID 43672004
3-(2-methoxyethoxy)-N-(4-methoxy-4-methylpentan-2-yl)aniline
CID 60935267
2-[3-[(4-methoxy-4-methylpentan-2-yl)amino]phenoxy]-N-methylacetamide
CID 43693342
N-[3-(1-phenylethylamino)phenyl]methanesulfonamide
CID 43208081
3-iodo-N-(4-methoxy-4-methylpentan-2-yl)-4-methylaniline
CID 43716067
4-[(4-methoxy-4-methylpentan-2-yl)amino]phenol
CID 43742567
2-amino-N-[3-(methanesulfonamido)phenyl]-3-methoxypropanamide
CID 81088623
4-bromo-N-(4-methoxy-4-methylpentan-2-yl)-3-nitroaniline
CID 79767299
N-[3-[1-(3-hydroxyphenyl)ethylamino]phenyl]methanesulfonamide
CID 43109245
molecular hydrogen;N-(3-propan-2-ylphenyl)methanesulfonamide
CID 171098076
N-[2-chloro-4-[(4-methoxy-4-methylpentan-2-yl)amino]phenyl]acetamide
CID 43690114
N-[3-[[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]methanesulfonamide
CID 34284543

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-methoxy-4-methylpentan-2-yl)amino]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[(4-methoxy-4-methylpentan-2-yl)amino]phenyl]methanesulfonamide (CID 43147236) is N-[3-[(4-methoxy-4-methylpentan-2-yl)amino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(4-methoxy-4-methylpentan-2-yl)amino]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[(4-methoxy-4-methylpentan-2-yl)amino]phenyl]methanesulfonamide is COC(C)(C)CC(C)Nc1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of N-[3-[(4-methoxy-4-methylpentan-2-yl)amino]phenyl]methanesulfonamide?
The InChIKey is BIAOITQMQWWYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-11(10-14(2,3)19-4)15-12-7-6-8-13(9-12)16-20(5,17)18/h6-9,11,15-16H,10H2,1-5H3.
What are the key properties of N-[3-[(4-methoxy-4-methylpentan-2-yl)amino]phenyl]methanesulfonamide?
N-[3-[(4-methoxy-4-methylpentan-2-yl)amino]phenyl]methanesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-methoxy-4-methylpentan-2-yl)amino]phenyl]methanesulfonamide is sourced from PubChem (CID 43147236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).