N-[(4-tert-butylphenyl)methyl]-2-(methanesulfonamido)-2-methylpropanamide

C16H26N2O3S — CID 71998790

IUPACN-[(4-tert-butylphenyl)methyl]-2-(methanesulfonamido)-2-methylpropanamide
SMILESCC(C)(NS(C)(=O)=O)C(=O)NCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H26N2O3S/c1-15(2,3)13-9-7-12(8-10-13)11-17-14(19)16(4,5)18-22(6,20)21/h7-10,18H,11H2,1-6H3,(H,17,19)
InChIKeyMNRPYNRHWHXXMH-UHFFFAOYSA-N
MW326.46 g/mol
LogP1.93
Rot. Bonds5

About N-[(4-tert-butylphenyl)methyl]-2-(methanesulfonamido)-2-methylpropanamide

N-[(4-tert-butylphenyl)methyl]-2-(methanesulfonamido)-2-methylpropanamide (PubChem CID 71998790) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-2-(methanesulfonamido)-2-methylpropanamide.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-2-(methanesulfonamido)-2-methylpropanamide
PubChem CID71998790
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC NameN-[(4-tert-butylphenyl)methyl]-2-(methanesulfonamido)-2-methylpropanamide
SMILESCC(C)(NS(C)(=O)=O)C(=O)NCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H26N2O3S/c1-15(2,3)13-9-7-12(8-10-13)11-17-14(19)16(4,5)18-22(6,20)21/h7-10,18H,11H2,1-6H3,(H,17,19)
InChIKeyMNRPYNRHWHXXMH-UHFFFAOYSA-N
XLogP1.93
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-tert-butylphenyl)methyl]-2-hydroxyacetamide
CID 69343221
3-[(4-tert-butylphenyl)methylamino]-3-oxopropanoic acid
CID 115163373
2,2,2-trifluoro-N-[(4-methylsulfonylphenyl)methyl]acetamide
CID 62728038
2-methyl-2-(methylamino)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 62834122
1-[(4-tert-butylphenyl)methyl]-3-[[4-(methanesulfonamido)phenyl]methyl]-1-sulfanylurea
CID 91516144
1-[(4-tert-butylphenyl)methyl]-3-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]urea
CID 11625640
N-[(4-tert-butylphenyl)methyl]-4-methylbenzamide
CID 97423443
4-tert-butyl-N-[(4-hydroxyphenyl)methyl]benzamide
CID 115577854
(E)-N-[(4-tert-butylphenyl)methyl]but-2-enamide
CID 110470259
N-[(4-tert-butylphenyl)methyl]-N',N'-di(propan-2-yl)oxamide
CID 155669977
3-(4-tert-butylphenyl)-N-[[4-(methanesulfonamido)phenyl]methyl]propanethioamide
CID 11855045
3-[4-[[2-(methanesulfonamido)-2-methylpropanoyl]amino]phenyl]propanoic acid
CID 119252351

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-2-(methanesulfonamido)-2-methylpropanamide?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-2-(methanesulfonamido)-2-methylpropanamide (CID 71998790) is N-[(4-tert-butylphenyl)methyl]-2-(methanesulfonamido)-2-methylpropanamide.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-2-(methanesulfonamido)-2-methylpropanamide?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-2-(methanesulfonamido)-2-methylpropanamide is CC(C)(NS(C)(=O)=O)C(=O)NCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-2-(methanesulfonamido)-2-methylpropanamide?
The InChIKey is MNRPYNRHWHXXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-15(2,3)13-9-7-12(8-10-13)11-17-14(19)16(4,5)18-22(6,20)21/h7-10,18H,11H2,1-6H3,(H,17,19).
What are the key properties of N-[(4-tert-butylphenyl)methyl]-2-(methanesulfonamido)-2-methylpropanamide?
N-[(4-tert-butylphenyl)methyl]-2-(methanesulfonamido)-2-methylpropanamide has a molecular weight of 326.46 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-2-(methanesulfonamido)-2-methylpropanamide is sourced from PubChem (CID 71998790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).