2-(methanesulfonamido)-N-(4-methoxyphenyl)-2-methylpropanamide

C12H18N2O4S — CID 99817079

IUPAC2-(methanesulfonamido)-N-(4-methoxyphenyl)-2-methylpropanamide
SMILESCOc1ccc(NC(=O)C(C)(C)NS(C)(=O)=O)cc1
InChIInChI=1S/C12H18N2O4S/c1-12(2,14-19(4,16)17)11(15)13-9-5-7-10(18-3)8-6-9/h5-8,14H,1-4H3,(H,13,15)
InChIKeyKGETWNVFJVENRI-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.96
Rot. Bonds5

About 2-(methanesulfonamido)-N-(4-methoxyphenyl)-2-methylpropanamide

2-(methanesulfonamido)-N-(4-methoxyphenyl)-2-methylpropanamide (PubChem CID 99817079) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-(methanesulfonamido)-N-(4-methoxyphenyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(methanesulfonamido)-N-(4-methoxyphenyl)-2-methylpropanamide
PubChem CID99817079
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name2-(methanesulfonamido)-N-(4-methoxyphenyl)-2-methylpropanamide
SMILESCOc1ccc(NC(=O)C(C)(C)NS(C)(=O)=O)cc1
InChIInChI=1S/C12H18N2O4S/c1-12(2,14-19(4,16)17)11(15)13-9-5-7-10(18-3)8-6-9/h5-8,14H,1-4H3,(H,13,15)
InChIKeyKGETWNVFJVENRI-UHFFFAOYSA-N
XLogP0.96
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[[2-(methanesulfonamido)-2-methylpropanoyl]amino]phenyl]propanoic acid
CID 119252351
2-amino-N-(4-methoxyphenyl)-2-methylpropanamide;hydrochloride
CID 56832266
2-amino-2-cyclopropyl-N-(4-methoxyphenyl)propanamide
CID 54925277
2-amino-3,3,3-trifluoro-N-(4-methoxyphenyl)-2-methylpropanamide
CID 79788488
1,1,1,4,4,4-hexafluorobutane-2,3-dione;N-(4-methoxyphenyl)-2,2-dimethylpropanamide
CID 158094253
3-[[2-(methanesulfonamido)-2-methylpropanoyl]amino]benzoic acid
CID 119219579
1,3-bis(4-methoxyphenyl)urea
CID 139045428
N-(4-methoxyphenyl)acetamide;sulfuryl dichloride
CID 88785543
N-[4-(dimethylamino)phenyl]-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969421
1-tert-butyl-3-(4-methoxyphenyl)urea
CID 6457975
2,2-difluoro-3-hydroxy-N-(4-methoxyphenyl)propanamide
CID 139665561
N-(4-cyanophenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969446

Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamido)-N-(4-methoxyphenyl)-2-methylpropanamide?
The IUPAC name of 2-(methanesulfonamido)-N-(4-methoxyphenyl)-2-methylpropanamide (CID 99817079) is 2-(methanesulfonamido)-N-(4-methoxyphenyl)-2-methylpropanamide.
What is the SMILES notation for 2-(methanesulfonamido)-N-(4-methoxyphenyl)-2-methylpropanamide?
The canonical SMILES for 2-(methanesulfonamido)-N-(4-methoxyphenyl)-2-methylpropanamide is COc1ccc(NC(=O)C(C)(C)NS(C)(=O)=O)cc1.
What is the InChIKey of 2-(methanesulfonamido)-N-(4-methoxyphenyl)-2-methylpropanamide?
The InChIKey is KGETWNVFJVENRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-12(2,14-19(4,16)17)11(15)13-9-5-7-10(18-3)8-6-9/h5-8,14H,1-4H3,(H,13,15).
What are the key properties of 2-(methanesulfonamido)-N-(4-methoxyphenyl)-2-methylpropanamide?
2-(methanesulfonamido)-N-(4-methoxyphenyl)-2-methylpropanamide has a molecular weight of 286.35 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamido)-N-(4-methoxyphenyl)-2-methylpropanamide is sourced from PubChem (CID 99817079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).