(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide

C13H20N2O3S — CID 8897361

IUPAC(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(N)=O)cc1
InChIInChI=1S/C13H20N2O3S/c1-9(2)8-12(13(14)16)15-19(17,18)11-6-4-10(3)5-7-11/h4-7,9,12,15H,8H2,1-3H3,(H2,14,16)/t12-/m0/s1
InChIKeyVYRZJQFYOPBZEM-LBPRGKRZSA-N
MW284.38 g/mol
LogP1.17
Rot. Bonds6

About (2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide

(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide (PubChem CID 8897361) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is (2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide.

Molecular Properties

Compound Name(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
PubChem CID8897361
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(N)=O)cc1
InChIInChI=1S/C13H20N2O3S/c1-9(2)8-12(13(14)16)15-19(17,18)11-6-4-10(3)5-7-11/h4-7,9,12,15H,8H2,1-3H3,(H2,14,16)/t12-/m0/s1
InChIKeyVYRZJQFYOPBZEM-LBPRGKRZSA-N
XLogP1.17
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate
CID 14666516
4-[[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]benzamide
CID 43007121
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propylpentanamide
CID 18104806
benzyl (2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate
CID 12819533
2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 3690831
4-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzenesulfonamide
CID 25271984
(2R)-2-[[carboxy-[(4-methylphenyl)sulfonylamino]methyl]amino]-4-methylpentanoic acid
CID 53389398
(2R)-N-benzyl-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 9336999
[2-(4-fluorophenyl)-2-oxoethyl] (2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate
CID 7878247
N-[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide
CID 35510552
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(2-phenylpropyl)pentanamide
CID 43010794
methyl 4-[[(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]benzoate
CID 7965936

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide?
The IUPAC name of (2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide (CID 8897361) is (2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide.
What is the SMILES notation for (2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide?
The canonical SMILES for (2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide is Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(N)=O)cc1.
What is the InChIKey of (2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide?
The InChIKey is VYRZJQFYOPBZEM-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-9(2)8-12(13(14)16)15-19(17,18)11-6-4-10(3)5-7-11/h4-7,9,12,15H,8H2,1-3H3,(H2,14,16)/t12-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide?
(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide has a molecular weight of 284.38 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide is sourced from PubChem (CID 8897361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).