2-(methanesulfonamido)-N-[3-(methoxymethyl)phenyl]-3,3-dimethylbutanamide

C15H24N2O4S — CID 71913681

IUPAC2-(methanesulfonamido)-N-[3-(methoxymethyl)phenyl]-3,3-dimethylbutanamide
SMILESCOCc1cccc(NC(=O)C(NS(C)(=O)=O)C(C)(C)C)c1
InChIInChI=1S/C15H24N2O4S/c1-15(2,3)13(17-22(5,19)20)14(18)16-12-8-6-7-11(9-12)10-21-4/h6-9,13,17H,10H2,1-5H3,(H,16,18)
InChIKeyWKIFYMDBXXVJIX-UHFFFAOYSA-N
MW328.43 g/mol
LogP1.74
Rot. Bonds6

About 2-(methanesulfonamido)-N-[3-(methoxymethyl)phenyl]-3,3-dimethylbutanamide

2-(methanesulfonamido)-N-[3-(methoxymethyl)phenyl]-3,3-dimethylbutanamide (PubChem CID 71913681) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is 2-(methanesulfonamido)-N-[3-(methoxymethyl)phenyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-(methanesulfonamido)-N-[3-(methoxymethyl)phenyl]-3,3-dimethylbutanamide
PubChem CID71913681
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Name2-(methanesulfonamido)-N-[3-(methoxymethyl)phenyl]-3,3-dimethylbutanamide
SMILESCOCc1cccc(NC(=O)C(NS(C)(=O)=O)C(C)(C)C)c1
InChIInChI=1S/C15H24N2O4S/c1-15(2,3)13(17-22(5,19)20)14(18)16-12-8-6-7-11(9-12)10-21-4/h6-9,13,17H,10H2,1-5H3,(H,16,18)
InChIKeyWKIFYMDBXXVJIX-UHFFFAOYSA-N
XLogP1.74
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-[[2-(methanesulfonamido)-3,3-dimethylbutanoyl]amino]phenyl]methylsulfanyl]acetic acid
CID 120526257
methyl (2S)-2-[[3-(methoxymethyl)phenyl]sulfonylamino]-3,3-dimethylbutanoate
CID 95772804
3-amino-N-[3-(methoxymethyl)phenyl]-2,2,3-trimethylbutanamide
CID 65264450
N-[3-(methoxymethyl)phenyl]-2-(N-methylsulfonylanilino)butanamide
CID 133229425
N-[3-(methoxymethyl)phenyl]-3-methylsulfonylbenzamide
CID 33099883
(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[3-(methoxymethyl)phenyl]propanamide
CID 125058110
2-hydroxy-3-[3-(methoxymethyl)anilino]-2-methylpropanoic acid
CID 104644204
2-amino-N-[3-(methoxymethyl)phenyl]-2-methylbutanamide
CID 79796724
2-[[3-(methoxymethyl)phenyl]carbamoyl]benzoyl chloride
CID 142115034
5-amino-N-[3-(methoxymethyl)phenyl]-2-methylpentanamide
CID 113440853
(2S)-N-[3-(methoxymethyl)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100562241
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[3-(methoxymethyl)phenyl]propanamide
CID 133229286

Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamido)-N-[3-(methoxymethyl)phenyl]-3,3-dimethylbutanamide?
The IUPAC name of 2-(methanesulfonamido)-N-[3-(methoxymethyl)phenyl]-3,3-dimethylbutanamide (CID 71913681) is 2-(methanesulfonamido)-N-[3-(methoxymethyl)phenyl]-3,3-dimethylbutanamide.
What is the SMILES notation for 2-(methanesulfonamido)-N-[3-(methoxymethyl)phenyl]-3,3-dimethylbutanamide?
The canonical SMILES for 2-(methanesulfonamido)-N-[3-(methoxymethyl)phenyl]-3,3-dimethylbutanamide is COCc1cccc(NC(=O)C(NS(C)(=O)=O)C(C)(C)C)c1.
What is the InChIKey of 2-(methanesulfonamido)-N-[3-(methoxymethyl)phenyl]-3,3-dimethylbutanamide?
The InChIKey is WKIFYMDBXXVJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-15(2,3)13(17-22(5,19)20)14(18)16-12-8-6-7-11(9-12)10-21-4/h6-9,13,17H,10H2,1-5H3,(H,16,18).
What are the key properties of 2-(methanesulfonamido)-N-[3-(methoxymethyl)phenyl]-3,3-dimethylbutanamide?
2-(methanesulfonamido)-N-[3-(methoxymethyl)phenyl]-3,3-dimethylbutanamide has a molecular weight of 328.43 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamido)-N-[3-(methoxymethyl)phenyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 71913681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).