2-amino-2-methyl-N-[3-(propan-2-ylsulfonylmethyl)phenyl]pentanamide

C16H26N2O3S — CID 119784272

IUPAC2-amino-2-methyl-N-[3-(propan-2-ylsulfonylmethyl)phenyl]pentanamide
SMILESCCCC(C)(N)C(=O)Nc1cccc(CS(=O)(=O)C(C)C)c1
InChIInChI=1S/C16H26N2O3S/c1-5-9-16(4,17)15(19)18-14-8-6-7-13(10-14)11-22(20,21)12(2)3/h6-8,10,12H,5,9,11,17H2,1-4H3,(H,18,19)
InChIKeyVEUYEDVJNKAQRL-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.47
Rot. Bonds7

About 2-amino-2-methyl-N-[3-(propan-2-ylsulfonylmethyl)phenyl]pentanamide

2-amino-2-methyl-N-[3-(propan-2-ylsulfonylmethyl)phenyl]pentanamide (PubChem CID 119784272) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[3-(propan-2-ylsulfonylmethyl)phenyl]pentanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-[3-(propan-2-ylsulfonylmethyl)phenyl]pentanamide
PubChem CID119784272
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name2-amino-2-methyl-N-[3-(propan-2-ylsulfonylmethyl)phenyl]pentanamide
SMILESCCCC(C)(N)C(=O)Nc1cccc(CS(=O)(=O)C(C)C)c1
InChIInChI=1S/C16H26N2O3S/c1-5-9-16(4,17)15(19)18-14-8-6-7-13(10-14)11-22(20,21)12(2)3/h6-8,10,12H,5,9,11,17H2,1-4H3,(H,18,19)
InChIKeyVEUYEDVJNKAQRL-UHFFFAOYSA-N
XLogP2.47
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(3-bromophenyl)-2-methylpentanamide
CID 60847337
2-amino-N-[3-(benzenesulfinylmethyl)phenyl]-2-methylpentanamide
CID 119789921
2-amino-N-[3-(2-methoxyethylsulfinylmethyl)phenyl]-2-methylpentanamide
CID 119790069
2-amino-N-(3-ethynylphenyl)-2-methylpentanamide
CID 60847163
2-amino-N-[3-(difluoromethylsulfanyl)phenyl]-2-methylpentanamide
CID 119770554
2-amino-2-methyl-N-[3-(3-methylbutoxy)phenyl]pentanamide
CID 119753505
2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-methylpentanamide;hydrochloride
CID 119722221
3-[(2-amino-2-methylpentanoyl)amino]-N-propylbenzamide
CID 60848408
2-amino-2-methyl-N-[[3-(methylsulfonylmethyl)phenyl]methyl]pentanamide
CID 119757053
1-amino-N-[3-(propan-2-ylsulfonylmethyl)phenyl]cyclopentane-1-carboxamide
CID 119324028
2-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pentanamide
CID 119864454
2-amino-2-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
CID 119685767

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[3-(propan-2-ylsulfonylmethyl)phenyl]pentanamide?
The IUPAC name of 2-amino-2-methyl-N-[3-(propan-2-ylsulfonylmethyl)phenyl]pentanamide (CID 119784272) is 2-amino-2-methyl-N-[3-(propan-2-ylsulfonylmethyl)phenyl]pentanamide.
What is the SMILES notation for 2-amino-2-methyl-N-[3-(propan-2-ylsulfonylmethyl)phenyl]pentanamide?
The canonical SMILES for 2-amino-2-methyl-N-[3-(propan-2-ylsulfonylmethyl)phenyl]pentanamide is CCCC(C)(N)C(=O)Nc1cccc(CS(=O)(=O)C(C)C)c1.
What is the InChIKey of 2-amino-2-methyl-N-[3-(propan-2-ylsulfonylmethyl)phenyl]pentanamide?
The InChIKey is VEUYEDVJNKAQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-5-9-16(4,17)15(19)18-14-8-6-7-13(10-14)11-22(20,21)12(2)3/h6-8,10,12H,5,9,11,17H2,1-4H3,(H,18,19).
What are the key properties of 2-amino-2-methyl-N-[3-(propan-2-ylsulfonylmethyl)phenyl]pentanamide?
2-amino-2-methyl-N-[3-(propan-2-ylsulfonylmethyl)phenyl]pentanamide has a molecular weight of 326.46 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[3-(propan-2-ylsulfonylmethyl)phenyl]pentanamide is sourced from PubChem (CID 119784272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).