methyl 4-[[methyl-[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]methyl]benzoate

C24H30N2O5S — CID 46402513

IUPACmethyl 4-[[methyl-[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CN(C)C(=O)c2cc(S(=O)(=O)N3CCCCC3C)ccc2C)cc1
InChIInChI=1S/C24H30N2O5S/c1-17-8-13-21(32(29,30)26-14-6-5-7-18(26)2)15-22(17)23(27)25(3)16-19-9-11-20(12-10-19)24(28)31-4/h8-13,15,18H,5-7,14,16H2,1-4H3
InChIKeyPIDZOFCGGGLPQT-UHFFFAOYSA-N
MW458.58 g/mol
LogP3.62
Rot. Bonds6

About methyl 4-[[methyl-[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]methyl]benzoate

methyl 4-[[methyl-[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]methyl]benzoate (PubChem CID 46402513) has the molecular formula C24H30N2O5S and a molecular weight of 458.58 g/mol. Its IUPAC name is methyl 4-[[methyl-[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[methyl-[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]methyl]benzoate
PubChem CID46402513
Molecular FormulaC24H30N2O5S
Molecular Weight458.58 g/mol
Exact Mass458.19
IUPAC Namemethyl 4-[[methyl-[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CN(C)C(=O)c2cc(S(=O)(=O)N3CCCCC3C)ccc2C)cc1
InChIInChI=1S/C24H30N2O5S/c1-17-8-13-21(32(29,30)26-14-6-5-7-18(26)2)15-22(17)23(27)25(3)16-19-9-11-20(12-10-19)24(28)31-4/h8-13,15,18H,5-7,14,16H2,1-4H3
InChIKeyPIDZOFCGGGLPQT-UHFFFAOYSA-N
XLogP3.62
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.58
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[methyl-[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]methyl]benzoate with MolForge

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55342700
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 46565905
N-[(4-ethoxyphenyl)methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 46654602
N-[(3-fluorophenyl)methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 42909107
methyl 4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 787656
methyl 4-[[[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]methyl]benzoate
CID 40881781
methyl 3-[[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-4-pyrrolidin-1-ylbenzoate
CID 55515320
N-(2-aminoethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 119384497
[1-oxo-1-(propylamino)propan-2-yl] 2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoate
CID 46624379
N-(2-aminoethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119384496
[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoate
CID 55421340
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 25476348

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[methyl-[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]methyl]benzoate?
The IUPAC name of methyl 4-[[methyl-[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]methyl]benzoate (CID 46402513) is methyl 4-[[methyl-[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[methyl-[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]methyl]benzoate?
The canonical SMILES for methyl 4-[[methyl-[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]methyl]benzoate is COC(=O)c1ccc(CN(C)C(=O)c2cc(S(=O)(=O)N3CCCCC3C)ccc2C)cc1.
What is the InChIKey of methyl 4-[[methyl-[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]methyl]benzoate?
The InChIKey is PIDZOFCGGGLPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O5S/c1-17-8-13-21(32(29,30)26-14-6-5-7-18(26)2)15-22(17)23(27)25(3)16-19-9-11-20(12-10-19)24(28)31-4/h8-13,15,18H,5-7,14,16H2,1-4H3.
What are the key properties of methyl 4-[[methyl-[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]methyl]benzoate?
methyl 4-[[methyl-[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]methyl]benzoate has a molecular weight of 458.58 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[methyl-[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]methyl]benzoate is sourced from PubChem (CID 46402513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).