N-benzyl-N-(2-phenylethyl)-3-piperidin-1-ylsulfonylbenzamide

C27H30N2O3S — CID 24980279

IUPACN-benzyl-N-(2-phenylethyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(c1cccc(S(=O)(=O)N2CCCCC2)c1)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C27H30N2O3S/c30-27(25-15-10-16-26(21-25)33(31,32)29-18-8-3-9-19-29)28(22-24-13-6-2-7-14-24)20-17-23-11-4-1-5-12-23/h1-2,4-7,10-16,21H,3,8-9,17-20,22H2
InChIKeyBZJRFBJPXAQAKP-UHFFFAOYSA-N
MW462.62 g/mol
LogP4.75
Rot. Bonds8

About N-benzyl-N-(2-phenylethyl)-3-piperidin-1-ylsulfonylbenzamide

N-benzyl-N-(2-phenylethyl)-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 24980279) has the molecular formula C27H30N2O3S and a molecular weight of 462.62 g/mol. Its IUPAC name is N-benzyl-N-(2-phenylethyl)-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-benzyl-N-(2-phenylethyl)-3-piperidin-1-ylsulfonylbenzamide
PubChem CID24980279
Molecular FormulaC27H30N2O3S
Molecular Weight462.62 g/mol
Exact Mass462.20
IUPAC NameN-benzyl-N-(2-phenylethyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(c1cccc(S(=O)(=O)N2CCCCC2)c1)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C27H30N2O3S/c30-27(25-15-10-16-26(21-25)33(31,32)29-18-8-3-9-19-29)28(22-24-13-6-2-7-14-24)20-17-23-11-4-1-5-12-23/h1-2,4-7,10-16,21H,3,8-9,17-20,22H2
InChIKeyBZJRFBJPXAQAKP-UHFFFAOYSA-N
XLogP4.75
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.62
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(azepan-1-ylsulfonyl)-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide
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N-(3-phenylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide
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N-benzyl-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonylbenzamide
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3-(4-acetylpiperazin-1-yl)sulfonyl-N-benzyl-N-ethylbenzamide
CID 19257293
2-[[3-(azepan-1-ylsulfonyl)benzoyl]-propylamino]acetic acid
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2-phenylethyl 3-piperidin-1-ylsulfonylbenzoate
CID 55334950
methyl 3-[[3-(4-acetylpiperazin-1-yl)sulfonylbenzoyl]-benzylamino]propanoate
CID 55514492
N-benzyl-N-ethyl-4-piperidin-1-ylsulfonylbenzamide
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N-[(3-fluorophenyl)methyl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-phenylethyl)-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-benzyl-N-(2-phenylethyl)-3-piperidin-1-ylsulfonylbenzamide (CID 24980279) is N-benzyl-N-(2-phenylethyl)-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-benzyl-N-(2-phenylethyl)-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-benzyl-N-(2-phenylethyl)-3-piperidin-1-ylsulfonylbenzamide is O=C(c1cccc(S(=O)(=O)N2CCCCC2)c1)N(CCc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(2-phenylethyl)-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is BZJRFBJPXAQAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3S/c30-27(25-15-10-16-26(21-25)33(31,32)29-18-8-3-9-19-29)28(22-24-13-6-2-7-14-24)20-17-23-11-4-1-5-12-23/h1-2,4-7,10-16,21H,3,8-9,17-20,22H2.
What are the key properties of N-benzyl-N-(2-phenylethyl)-3-piperidin-1-ylsulfonylbenzamide?
N-benzyl-N-(2-phenylethyl)-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 462.62 g/mol, XLogP of 4.75, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-phenylethyl)-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 24980279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).