N-benzyl-3-(4-piperidin-1-ylsulfonylphenyl)benzamide

C25H26N2O3S — CID 46385970

IUPACN-benzyl-3-(4-piperidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(NCc1ccccc1)c1cccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1
InChIInChI=1S/C25H26N2O3S/c28-25(26-19-20-8-3-1-4-9-20)23-11-7-10-22(18-23)21-12-14-24(15-13-21)31(29,30)27-16-5-2-6-17-27/h1,3-4,7-15,18H,2,5-6,16-17,19H2,(H,26,28)
InChIKeyDTESUIXPVUCXOU-UHFFFAOYSA-N
MW434.56 g/mol
LogP4.46
Rot. Bonds6

About N-benzyl-3-(4-piperidin-1-ylsulfonylphenyl)benzamide

N-benzyl-3-(4-piperidin-1-ylsulfonylphenyl)benzamide (PubChem CID 46385970) has the molecular formula C25H26N2O3S and a molecular weight of 434.56 g/mol. Its IUPAC name is N-benzyl-3-(4-piperidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound NameN-benzyl-3-(4-piperidin-1-ylsulfonylphenyl)benzamide
PubChem CID46385970
Molecular FormulaC25H26N2O3S
Molecular Weight434.56 g/mol
Exact Mass434.17
IUPAC NameN-benzyl-3-(4-piperidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(NCc1ccccc1)c1cccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1
InChIInChI=1S/C25H26N2O3S/c28-25(26-19-20-8-3-1-4-9-20)23-11-7-10-22(18-23)21-12-14-24(15-13-21)31(29,30)27-16-5-2-6-17-27/h1,3-4,7-15,18H,2,5-6,16-17,19H2,(H,26,28)
InChIKeyDTESUIXPVUCXOU-UHFFFAOYSA-N
XLogP4.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 46385972
3-fluoro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 17248733
3-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 119735910
3-(4-piperidin-1-ylsulfonylphenyl)-N-propan-2-ylbenzamide
CID 46385925
3-methoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 108759230
3-cyano-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 108736275
N-[(3-methoxyphenyl)methyl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 20973692
4-(azepan-1-ylsulfonyl)-N-[(3-chlorophenyl)methyl]benzamide
CID 5135953
3-(azepan-1-ylsulfonyl)-N-[(4-chlorophenyl)methyl]benzamide
CID 2597746
N-(2-phenylethyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 20973683
N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 2694596
3-piperidin-1-ylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 26446820

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of N-benzyl-3-(4-piperidin-1-ylsulfonylphenyl)benzamide (CID 46385970) is N-benzyl-3-(4-piperidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for N-benzyl-3-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for N-benzyl-3-(4-piperidin-1-ylsulfonylphenyl)benzamide is O=C(NCc1ccccc1)c1cccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1.
What is the InChIKey of N-benzyl-3-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is DTESUIXPVUCXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3S/c28-25(26-19-20-8-3-1-4-9-20)23-11-7-10-22(18-23)21-12-14-24(15-13-21)31(29,30)27-16-5-2-6-17-27/h1,3-4,7-15,18H,2,5-6,16-17,19H2,(H,26,28).
What are the key properties of N-benzyl-3-(4-piperidin-1-ylsulfonylphenyl)benzamide?
N-benzyl-3-(4-piperidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 434.56 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(4-piperidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 46385970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).