N-[(1S)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(diethylamino)-2-oxoethyl]benzamide

C24H30ClN3O4S — CID 93183295

IUPACN-[(1S)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(diethylamino)-2-oxoethyl]benzamide
SMILESCCN(CC)C(=O)[C@@H](NC(=O)c1ccccc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H30ClN3O4S/c1-3-27(4-2)24(30)22(26-23(29)19-8-6-5-7-9-19)18-14-16-28(17-15-18)33(31,32)21-12-10-20(25)11-13-21/h5-13,18,22H,3-4,14-17H2,1-2H3,(H,26,29)/t22-/m0/s1
InChIKeyJAYYUFNBPSPYBK-QFIPXVFZSA-N
MW492.04 g/mol
LogP3.41
Rot. Bonds8

About N-[(1S)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(diethylamino)-2-oxoethyl]benzamide

N-[(1S)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(diethylamino)-2-oxoethyl]benzamide (PubChem CID 93183295) has the molecular formula C24H30ClN3O4S and a molecular weight of 492.04 g/mol. Its IUPAC name is N-[(1S)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(diethylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(diethylamino)-2-oxoethyl]benzamide
PubChem CID93183295
Molecular FormulaC24H30ClN3O4S
Molecular Weight492.04 g/mol
Exact Mass491.16
IUPAC NameN-[(1S)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(diethylamino)-2-oxoethyl]benzamide
SMILESCCN(CC)C(=O)[C@@H](NC(=O)c1ccccc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H30ClN3O4S/c1-3-27(4-2)24(30)22(26-23(29)19-8-6-5-7-9-19)18-14-16-28(17-15-18)33(31,32)21-12-10-20(25)11-13-21/h5-13,18,22H,3-4,14-17H2,1-2H3,(H,26,29)/t22-/m0/s1
InChIKeyJAYYUFNBPSPYBK-QFIPXVFZSA-N
XLogP3.41
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.04
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(diethylamino)-2-oxoethyl]benzamide?
The IUPAC name of N-[(1S)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(diethylamino)-2-oxoethyl]benzamide (CID 93183295) is N-[(1S)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(diethylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for N-[(1S)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(diethylamino)-2-oxoethyl]benzamide?
The canonical SMILES for N-[(1S)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(diethylamino)-2-oxoethyl]benzamide is CCN(CC)C(=O)[C@@H](NC(=O)c1ccccc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[(1S)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(diethylamino)-2-oxoethyl]benzamide?
The InChIKey is JAYYUFNBPSPYBK-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H30ClN3O4S/c1-3-27(4-2)24(30)22(26-23(29)19-8-6-5-7-9-19)18-14-16-28(17-15-18)33(31,32)21-12-10-20(25)11-13-21/h5-13,18,22H,3-4,14-17H2,1-2H3,(H,26,29)/t22-/m0/s1.
What are the key properties of N-[(1S)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(diethylamino)-2-oxoethyl]benzamide?
N-[(1S)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(diethylamino)-2-oxoethyl]benzamide has a molecular weight of 492.04 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(diethylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 93183295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).