methyl 4-methyl-2-[[1-[2-[(4-methylphenyl)sulfonylamino]propanoyl]piperidine-4-carbonyl]amino]pentanoate

C23H35N3O6S — CID 3528929

IUPACmethyl 4-methyl-2-[[1-[2-[(4-methylphenyl)sulfonylamino]propanoyl]piperidine-4-carbonyl]amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)C1CCN(C(=O)C(C)NS(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C23H35N3O6S/c1-15(2)14-20(23(29)32-5)24-21(27)18-10-12-26(13-11-18)22(28)17(4)25-33(30,31)19-8-6-16(3)7-9-19/h6-9,15,17-18,20,25H,10-14H2,1-5H3,(H,24,27)
InChIKeyNGOYSXKQJRVJFL-UHFFFAOYSA-N
MW481.62 g/mol
LogP1.60
Rot. Bonds9

About methyl 4-methyl-2-[[1-[2-[(4-methylphenyl)sulfonylamino]propanoyl]piperidine-4-carbonyl]amino]pentanoate

methyl 4-methyl-2-[[1-[2-[(4-methylphenyl)sulfonylamino]propanoyl]piperidine-4-carbonyl]amino]pentanoate (PubChem CID 3528929) has the molecular formula C23H35N3O6S and a molecular weight of 481.62 g/mol. Its IUPAC name is methyl 4-methyl-2-[[1-[2-[(4-methylphenyl)sulfonylamino]propanoyl]piperidine-4-carbonyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[[1-[2-[(4-methylphenyl)sulfonylamino]propanoyl]piperidine-4-carbonyl]amino]pentanoate
PubChem CID3528929
Molecular FormulaC23H35N3O6S
Molecular Weight481.62 g/mol
Exact Mass481.22
IUPAC Namemethyl 4-methyl-2-[[1-[2-[(4-methylphenyl)sulfonylamino]propanoyl]piperidine-4-carbonyl]amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)C1CCN(C(=O)C(C)NS(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C23H35N3O6S/c1-15(2)14-20(23(29)32-5)24-21(27)18-10-12-26(13-11-18)22(28)17(4)25-33(30,31)19-8-6-16(3)7-9-19/h6-9,15,17-18,20,25H,10-14H2,1-5H3,(H,24,27)
InChIKeyNGOYSXKQJRVJFL-UHFFFAOYSA-N
XLogP1.60
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.62
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 4-methyl-2-[[1-[2-[(4-methylphenyl)sulfonylamino]propanoyl]piperidine-4-carbonyl]amino]pentanoate with MolForge

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Launch Full Analysis

Related Compounds

methyl (2S)-2-[[1-[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]piperidine-4-carbonyl]amino]-4-methylsulfanylbutanoate;hydrochloride
CID 44665944
(2S,3S)-3-hydroxy-2-[[1-[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]piperidine-4-carbonyl]amino]butanoic acid
CID 11963708
4-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzenesulfonamide
CID 25271984
(2S,3S)-3-methyl-2-[[1-[(2S,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]piperidine-4-carbonyl]amino]pentanoic acid
CID 40872638
ethyl 1-[(2R)-2-[(4-methoxyphenyl)sulfonylamino]propanoyl]piperidine-4-carboxylate
CID 124640325
(2S)-3-methyl-2-[[1-[(2R,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]piperidine-4-carbonyl]amino]butanoic acid
CID 92507036
(2S,3R)-3-methyl-2-[[1-[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoyl]piperidine-4-carbonyl]amino]pentanoic acid
CID 664628
2-[[1-[2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoyl]piperidine-4-carbonyl]amino]propanoic acid
CID 3399640
(2S,3S)-3-hydroxy-2-[[1-[(2S,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]piperidine-4-carbonyl]amino]butanoic acid
CID 40872640
N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]-1-[3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]piperidine-4-carboxamide
CID 75064004
N-[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide
CID 35510552
1-(2-amino-4-methylpentanoyl)-N-[1-(4-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 4837129

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[[1-[2-[(4-methylphenyl)sulfonylamino]propanoyl]piperidine-4-carbonyl]amino]pentanoate?
The IUPAC name of methyl 4-methyl-2-[[1-[2-[(4-methylphenyl)sulfonylamino]propanoyl]piperidine-4-carbonyl]amino]pentanoate (CID 3528929) is methyl 4-methyl-2-[[1-[2-[(4-methylphenyl)sulfonylamino]propanoyl]piperidine-4-carbonyl]amino]pentanoate.
What is the SMILES notation for methyl 4-methyl-2-[[1-[2-[(4-methylphenyl)sulfonylamino]propanoyl]piperidine-4-carbonyl]amino]pentanoate?
The canonical SMILES for methyl 4-methyl-2-[[1-[2-[(4-methylphenyl)sulfonylamino]propanoyl]piperidine-4-carbonyl]amino]pentanoate is COC(=O)C(CC(C)C)NC(=O)C1CCN(C(=O)C(C)NS(=O)(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of methyl 4-methyl-2-[[1-[2-[(4-methylphenyl)sulfonylamino]propanoyl]piperidine-4-carbonyl]amino]pentanoate?
The InChIKey is NGOYSXKQJRVJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O6S/c1-15(2)14-20(23(29)32-5)24-21(27)18-10-12-26(13-11-18)22(28)17(4)25-33(30,31)19-8-6-16(3)7-9-19/h6-9,15,17-18,20,25H,10-14H2,1-5H3,(H,24,27).
What are the key properties of methyl 4-methyl-2-[[1-[2-[(4-methylphenyl)sulfonylamino]propanoyl]piperidine-4-carbonyl]amino]pentanoate?
methyl 4-methyl-2-[[1-[2-[(4-methylphenyl)sulfonylamino]propanoyl]piperidine-4-carbonyl]amino]pentanoate has a molecular weight of 481.62 g/mol, XLogP of 1.60, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[[1-[2-[(4-methylphenyl)sulfonylamino]propanoyl]piperidine-4-carbonyl]amino]pentanoate is sourced from PubChem (CID 3528929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).