3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-phenylmethoxybenzamide

C20H24N2O4S — CID 9227506

IUPAC3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-phenylmethoxybenzamide
SMILESC[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)NOCc2ccccc2)c1
InChIInChI=1S/C20H24N2O4S/c1-16-8-5-6-13-22(16)27(24,25)19-12-7-11-18(14-19)20(23)21-26-15-17-9-3-2-4-10-17/h2-4,7,9-12,14,16H,5-6,8,13,15H2,1H3,(H,21,23)/t16-/m1/s1
InChIKeyZFBCIBVJZJEPRW-MRXNPFEDSA-N
MW388.49 g/mol
LogP3.11
Rot. Bonds6

About 3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-phenylmethoxybenzamide

3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-phenylmethoxybenzamide (PubChem CID 9227506) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-phenylmethoxybenzamide.

Molecular Properties

Compound Name3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-phenylmethoxybenzamide
PubChem CID9227506
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-phenylmethoxybenzamide
SMILESC[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)NOCc2ccccc2)c1
InChIInChI=1S/C20H24N2O4S/c1-16-8-5-6-13-22(16)27(24,25)19-12-7-11-18(14-19)20(23)21-26-15-17-9-3-2-4-10-17/h2-4,7,9-12,14,16H,5-6,8,13,15H2,1H3,(H,21,23)/t16-/m1/s1
InChIKeyZFBCIBVJZJEPRW-MRXNPFEDSA-N
XLogP3.11
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9165564
N-(2-amino-2-methylpropyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119629639
N'-methyl-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N'-phenylbenzohydrazide
CID 9479993
3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide
CID 9442263
N-(2-chlorophenyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9411283
N-(4-hydroxycyclohexyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 78767659
N-[2-(4-chlorophenyl)ethyl]-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9217485
N-(6-amino-3-pyridinyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119516218
[2-(ethoxycarbonylamino)-2-oxoethyl] 3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 7829699
3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-(2,4,6-trimethylphenyl)benzamide
CID 26085937
[3-(2-methylpiperidin-1-yl)sulfonylphenyl]-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone
CID 55876771
N-[(2,5-dimethylfuran-3-yl)methyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 86950492

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-phenylmethoxybenzamide?
The IUPAC name of 3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-phenylmethoxybenzamide (CID 9227506) is 3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-phenylmethoxybenzamide.
What is the SMILES notation for 3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-phenylmethoxybenzamide?
The canonical SMILES for 3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-phenylmethoxybenzamide is C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)NOCc2ccccc2)c1.
What is the InChIKey of 3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-phenylmethoxybenzamide?
The InChIKey is ZFBCIBVJZJEPRW-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-16-8-5-6-13-22(16)27(24,25)19-12-7-11-18(14-19)20(23)21-26-15-17-9-3-2-4-10-17/h2-4,7,9-12,14,16H,5-6,8,13,15H2,1H3,(H,21,23)/t16-/m1/s1.
What are the key properties of 3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-phenylmethoxybenzamide?
3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-phenylmethoxybenzamide has a molecular weight of 388.49 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-phenylmethoxybenzamide is sourced from PubChem (CID 9227506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).