(2R)-N-(1-ethylpiperidin-4-yl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide

C20H33N3O3S — CID 30768113

IUPAC(2R)-N-(1-ethylpiperidin-4-yl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
SMILESCCN1CCC(NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C20H33N3O3S/c1-5-23-12-10-17(11-13-23)21-20(24)19(14-15(2)3)22-27(25,26)18-8-6-16(4)7-9-18/h6-9,15,17,19,22H,5,10-14H2,1-4H3,(H,21,24)/t19-/m1/s1
InChIKeyWZDPNNJXFZJSDT-LJQANCHMSA-N
MW395.57 g/mol
LogP2.29
Rot. Bonds8

About (2R)-N-(1-ethylpiperidin-4-yl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide

(2R)-N-(1-ethylpiperidin-4-yl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide (PubChem CID 30768113) has the molecular formula C20H33N3O3S and a molecular weight of 395.57 g/mol. Its IUPAC name is (2R)-N-(1-ethylpiperidin-4-yl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide.

Molecular Properties

Compound Name(2R)-N-(1-ethylpiperidin-4-yl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
PubChem CID30768113
Molecular FormulaC20H33N3O3S
Molecular Weight395.57 g/mol
Exact Mass395.22
IUPAC Name(2R)-N-(1-ethylpiperidin-4-yl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
SMILESCCN1CCC(NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C20H33N3O3S/c1-5-23-12-10-17(11-13-23)21-20(24)19(14-15(2)3)22-27(25,26)18-8-6-16(4)7-9-18/h6-9,15,17,19,22H,5,10-14H2,1-4H3,(H,21,24)/t19-/m1/s1
InChIKeyWZDPNNJXFZJSDT-LJQANCHMSA-N
XLogP2.29
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.57
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-ethylpiperidin-4-yl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide?
The IUPAC name of (2R)-N-(1-ethylpiperidin-4-yl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide (CID 30768113) is (2R)-N-(1-ethylpiperidin-4-yl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide.
What is the SMILES notation for (2R)-N-(1-ethylpiperidin-4-yl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide?
The canonical SMILES for (2R)-N-(1-ethylpiperidin-4-yl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide is CCN1CCC(NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of (2R)-N-(1-ethylpiperidin-4-yl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide?
The InChIKey is WZDPNNJXFZJSDT-LJQANCHMSA-N. The full InChI is InChI=1S/C20H33N3O3S/c1-5-23-12-10-17(11-13-23)21-20(24)19(14-15(2)3)22-27(25,26)18-8-6-16(4)7-9-18/h6-9,15,17,19,22H,5,10-14H2,1-4H3,(H,21,24)/t19-/m1/s1.
What are the key properties of (2R)-N-(1-ethylpiperidin-4-yl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide?
(2R)-N-(1-ethylpiperidin-4-yl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide has a molecular weight of 395.57 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1-ethylpiperidin-4-yl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide is sourced from PubChem (CID 30768113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).