3-(4-piperidin-1-ylsulfonylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide

C28H30N2O3S — CID 46385955

IUPAC3-(4-piperidin-1-ylsulfonylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
SMILESO=C(NC1CCCc2ccccc21)c1cccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1
InChIInChI=1S/C28H30N2O3S/c31-28(29-27-13-7-9-22-8-2-3-12-26(22)27)24-11-6-10-23(20-24)21-14-16-25(17-15-21)34(32,33)30-18-4-1-5-19-30/h2-3,6,8,10-12,14-17,20,27H,1,4-5,7,9,13,18-19H2,(H,29,31)
InChIKeyNWXTZTCLGMGILE-UHFFFAOYSA-N
MW474.63 g/mol
LogP5.34
Rot. Bonds5

About 3-(4-piperidin-1-ylsulfonylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide

3-(4-piperidin-1-ylsulfonylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide (PubChem CID 46385955) has the molecular formula C28H30N2O3S and a molecular weight of 474.63 g/mol. Its IUPAC name is 3-(4-piperidin-1-ylsulfonylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide.

Molecular Properties

Compound Name3-(4-piperidin-1-ylsulfonylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
PubChem CID46385955
Molecular FormulaC28H30N2O3S
Molecular Weight474.63 g/mol
Exact Mass474.20
IUPAC Name3-(4-piperidin-1-ylsulfonylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
SMILESO=C(NC1CCCc2ccccc21)c1cccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1
InChIInChI=1S/C28H30N2O3S/c31-28(29-27-13-7-9-22-8-2-3-12-26(22)27)24-11-6-10-23(20-24)21-14-16-25(17-15-21)34(32,33)30-18-4-1-5-19-30/h2-3,6,8,10-12,14-17,20,27H,1,4-5,7,9,13,18-19H2,(H,29,31)
InChIKeyNWXTZTCLGMGILE-UHFFFAOYSA-N
XLogP5.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.63
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-piperidin-1-ylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 4235471
4-morpholin-4-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450785
2-methyl-5-piperidin-1-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2361857
4-fluoro-3-piperidin-1-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450774
N'-(4-pyrrolidin-1-ylsulfonylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxamide
CID 25414621
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 26058274
3-(2,3-dihydroindol-1-ylsulfonyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2433897
3-[3-(aminomethyl)phenyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 134158405
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-4-piperidin-1-ylsulfonylbenzamide
CID 8891035
3-(4-piperidin-1-ylsulfonylphenyl)-N-propan-2-ylbenzamide
CID 46385925
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate
CID 23767525
2-(4-pyrrolidin-1-ylsulfonylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28552190

Frequently Asked Questions

What is the IUPAC name of 3-(4-piperidin-1-ylsulfonylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The IUPAC name of 3-(4-piperidin-1-ylsulfonylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide (CID 46385955) is 3-(4-piperidin-1-ylsulfonylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide.
What is the SMILES notation for 3-(4-piperidin-1-ylsulfonylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The canonical SMILES for 3-(4-piperidin-1-ylsulfonylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide is O=C(NC1CCCc2ccccc21)c1cccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1.
What is the InChIKey of 3-(4-piperidin-1-ylsulfonylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The InChIKey is NWXTZTCLGMGILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O3S/c31-28(29-27-13-7-9-22-8-2-3-12-26(22)27)24-11-6-10-23(20-24)21-14-16-25(17-15-21)34(32,33)30-18-4-1-5-19-30/h2-3,6,8,10-12,14-17,20,27H,1,4-5,7,9,13,18-19H2,(H,29,31).
What are the key properties of 3-(4-piperidin-1-ylsulfonylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
3-(4-piperidin-1-ylsulfonylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide has a molecular weight of 474.63 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-piperidin-1-ylsulfonylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide is sourced from PubChem (CID 46385955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).