methyl 4-[[[4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzoyl]amino]methyl]benzoate

C22H26N2O5S — CID 41210171

IUPACmethyl 4-[[[4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzoyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)cc1
InChIInChI=1S/C22H26N2O5S/c1-16-4-3-13-24(15-16)30(27,28)20-11-9-18(10-12-20)21(25)23-14-17-5-7-19(8-6-17)22(26)29-2/h5-12,16H,3-4,13-15H2,1-2H3,(H,23,25)/t16-/m1/s1
InChIKeyMSAHBZSAHSLWLT-MRXNPFEDSA-N
MW430.53 g/mol
LogP2.82
Rot. Bonds6

About methyl 4-[[[4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzoyl]amino]methyl]benzoate

methyl 4-[[[4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzoyl]amino]methyl]benzoate (PubChem CID 41210171) has the molecular formula C22H26N2O5S and a molecular weight of 430.53 g/mol. Its IUPAC name is methyl 4-[[[4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzoyl]amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[[4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzoyl]amino]methyl]benzoate
PubChem CID41210171
Molecular FormulaC22H26N2O5S
Molecular Weight430.53 g/mol
Exact Mass430.16
IUPAC Namemethyl 4-[[[4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzoyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)cc1
InChIInChI=1S/C22H26N2O5S/c1-16-4-3-13-24(15-16)30(27,28)20-11-9-18(10-12-20)21(25)23-14-17-5-7-19(8-6-17)22(26)29-2/h5-12,16H,3-4,13-15H2,1-2H3,(H,23,25)/t16-/m1/s1
InChIKeyMSAHBZSAHSLWLT-MRXNPFEDSA-N
XLogP2.82
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[[4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzoyl]amino]methyl]benzoate with MolForge

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Related Compounds

4-(acetamidomethyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 46820186
4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide
CID 109058847
4-(3-methylpiperidin-1-yl)sulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 109060909
methyl 4-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]benzoate
CID 46474036
methyl 4-[[[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]methyl]benzoate
CID 40881781
4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-phenylethyl)benzamide
CID 109061005
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 46474057
4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoic acid
CID 1132674
4-(3-methylpiperidin-1-yl)sulfonylbenzoic acid
CID 2770974
4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[(4-fluorophenyl)methyl]benzamide
CID 7925561
methyl 6-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]carbamoyl]pyridine-3-carboxylate
CID 43049761
4-methoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17311372

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[[4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzoyl]amino]methyl]benzoate?
The IUPAC name of methyl 4-[[[4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzoyl]amino]methyl]benzoate (CID 41210171) is methyl 4-[[[4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzoyl]amino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[[4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzoyl]amino]methyl]benzoate?
The canonical SMILES for methyl 4-[[[4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzoyl]amino]methyl]benzoate is COC(=O)c1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)cc1.
What is the InChIKey of methyl 4-[[[4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzoyl]amino]methyl]benzoate?
The InChIKey is MSAHBZSAHSLWLT-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H26N2O5S/c1-16-4-3-13-24(15-16)30(27,28)20-11-9-18(10-12-20)21(25)23-14-17-5-7-19(8-6-17)22(26)29-2/h5-12,16H,3-4,13-15H2,1-2H3,(H,23,25)/t16-/m1/s1.
What are the key properties of methyl 4-[[[4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzoyl]amino]methyl]benzoate?
methyl 4-[[[4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzoyl]amino]methyl]benzoate has a molecular weight of 430.53 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[[4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzoyl]amino]methyl]benzoate is sourced from PubChem (CID 41210171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).