methyl (2R)-4-methyl-2-[[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]amino]pentanoate

C20H30N2O5S — CID 9404670

IUPACmethyl (2R)-4-methyl-2-[[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]amino]pentanoate
SMILESCOC(=O)[C@@H](CC(C)C)NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H30N2O5S/c1-15(2)13-18(20(24)27-3)21-19(23)14-16-7-9-17(10-8-16)28(25,26)22-11-5-4-6-12-22/h7-10,15,18H,4-6,11-14H2,1-3H3,(H,21,23)/t18-/m1/s1
InChIKeyQCQHAXNSKYJLGV-GOSISDBHSA-N
MW410.54 g/mol
LogP2.11
Rot. Bonds8

About methyl (2R)-4-methyl-2-[[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]amino]pentanoate

methyl (2R)-4-methyl-2-[[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]amino]pentanoate (PubChem CID 9404670) has the molecular formula C20H30N2O5S and a molecular weight of 410.54 g/mol. Its IUPAC name is methyl (2R)-4-methyl-2-[[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl (2R)-4-methyl-2-[[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]amino]pentanoate
PubChem CID9404670
Molecular FormulaC20H30N2O5S
Molecular Weight410.54 g/mol
Exact Mass410.19
IUPAC Namemethyl (2R)-4-methyl-2-[[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]amino]pentanoate
SMILESCOC(=O)[C@@H](CC(C)C)NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H30N2O5S/c1-15(2)13-18(20(24)27-3)21-19(23)14-16-7-9-17(10-8-16)28(25,26)22-11-5-4-6-12-22/h7-10,15,18H,4-6,11-14H2,1-3H3,(H,21,23)/t18-/m1/s1
InChIKeyQCQHAXNSKYJLGV-GOSISDBHSA-N
XLogP2.11
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (2R)-4-methyl-2-[[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]amino]pentanoate with MolForge

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Related Compounds

N-[(2R,4S)-4-hydroxypentan-2-yl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 97350505
(2S)-2-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]-4-methylpentanoate
CID 9292221
4-methoxy-2-[[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]amino]butanoic acid
CID 120702439
(2R)-4-methyl-2-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]pentanoic acid
CID 119363512
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 51727990
methyl 2-[[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]-4-methylpentanoate
CID 55406804
N-(2-methoxyethyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 9399959
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride
CID 119606419
N-[2-(methylamino)propyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride
CID 120832248
N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 55566421
N-[1-(aminomethyl)cyclopentyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 119565800
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(4-methoxyphenyl)acetamide
CID 4787017

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-4-methyl-2-[[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]amino]pentanoate?
The IUPAC name of methyl (2R)-4-methyl-2-[[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]amino]pentanoate (CID 9404670) is methyl (2R)-4-methyl-2-[[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]amino]pentanoate.
What is the SMILES notation for methyl (2R)-4-methyl-2-[[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]amino]pentanoate?
The canonical SMILES for methyl (2R)-4-methyl-2-[[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]amino]pentanoate is COC(=O)[C@@H](CC(C)C)NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of methyl (2R)-4-methyl-2-[[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]amino]pentanoate?
The InChIKey is QCQHAXNSKYJLGV-GOSISDBHSA-N. The full InChI is InChI=1S/C20H30N2O5S/c1-15(2)13-18(20(24)27-3)21-19(23)14-16-7-9-17(10-8-16)28(25,26)22-11-5-4-6-12-22/h7-10,15,18H,4-6,11-14H2,1-3H3,(H,21,23)/t18-/m1/s1.
What are the key properties of methyl (2R)-4-methyl-2-[[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]amino]pentanoate?
methyl (2R)-4-methyl-2-[[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]amino]pentanoate has a molecular weight of 410.54 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-4-methyl-2-[[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]amino]pentanoate is sourced from PubChem (CID 9404670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).