methyl 2-[(4-chlorophenyl)methyl-(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]acetate

C20H23ClN2O5S2 — CID 55802951

IUPACmethyl 2-[(4-chlorophenyl)methyl-(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]acetate
SMILESCOC(=O)CN(Cc1ccc(Cl)cc1)C(=O)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C20H23ClN2O5S2/c1-28-18(24)14-22(13-15-4-6-17(21)7-5-15)20(25)16-8-10-23(11-9-16)30(26,27)19-3-2-12-29-19/h2-7,12,16H,8-11,13-14H2,1H3
InChIKeyXAYSICWGTMDXEX-UHFFFAOYSA-N
MW471.00 g/mol
LogP3.00
Rot. Bonds7

About methyl 2-[(4-chlorophenyl)methyl-(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]acetate

methyl 2-[(4-chlorophenyl)methyl-(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]acetate (PubChem CID 55802951) has the molecular formula C20H23ClN2O5S2 and a molecular weight of 471.00 g/mol. Its IUPAC name is methyl 2-[(4-chlorophenyl)methyl-(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-chlorophenyl)methyl-(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]acetate
PubChem CID55802951
Molecular FormulaC20H23ClN2O5S2
Molecular Weight471.00 g/mol
Exact Mass470.07
IUPAC Namemethyl 2-[(4-chlorophenyl)methyl-(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]acetate
SMILESCOC(=O)CN(Cc1ccc(Cl)cc1)C(=O)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C20H23ClN2O5S2/c1-28-18(24)14-22(13-15-4-6-17(21)7-5-15)20(25)16-8-10-23(11-9-16)30(26,27)19-3-2-12-29-19/h2-7,12,16H,8-11,13-14H2,1H3
InChIKeyXAYSICWGTMDXEX-UHFFFAOYSA-N
XLogP3.00
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.00
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(4-chlorophenyl)methyl-(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]acetate with MolForge

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 26891230
N-[2-(4-chlorophenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2078307
methyl 2-[(4-chlorophenyl)methyl-[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]acetate
CID 55802914
ethyl 5-[4-[benzyl-(2-methoxy-2-oxoethyl)carbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate
CID 55992721
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 55389188
(2R)-N-[(4-chlorophenyl)methyl]-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide
CID 95088661
N-[5-chloro-2-(dimethylamino)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 55336383
N-[1-(4-chlorophenyl)-2-methylpropyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 46693048
N-[(4-methylphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810492
(4-propan-2-ylphenyl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
CID 7843819
ethyl 4-(4-chlorophenyl)-2-[(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]thiophene-3-carboxylate
CID 4089309
methyl 3-[benzyl-[1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carbonyl]amino]propanoate
CID 55512905

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-chlorophenyl)methyl-(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(4-chlorophenyl)methyl-(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]acetate (CID 55802951) is methyl 2-[(4-chlorophenyl)methyl-(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(4-chlorophenyl)methyl-(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(4-chlorophenyl)methyl-(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]acetate is COC(=O)CN(Cc1ccc(Cl)cc1)C(=O)C1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of methyl 2-[(4-chlorophenyl)methyl-(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]acetate?
The InChIKey is XAYSICWGTMDXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O5S2/c1-28-18(24)14-22(13-15-4-6-17(21)7-5-15)20(25)16-8-10-23(11-9-16)30(26,27)19-3-2-12-29-19/h2-7,12,16H,8-11,13-14H2,1H3.
What are the key properties of methyl 2-[(4-chlorophenyl)methyl-(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]acetate?
methyl 2-[(4-chlorophenyl)methyl-(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]acetate has a molecular weight of 471.00 g/mol, XLogP of 3.00, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-chlorophenyl)methyl-(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]acetate is sourced from PubChem (CID 55802951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).