4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]benzamide

C30H31N3O3S — CID 93487102

IUPAC4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]benzamide
SMILESC[C@H]1CCCN(Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccc5ccccc45)cc3)cc2)C1
InChIInChI=1S/C30H31N3O3S/c1-22-6-5-19-33(20-22)21-23-11-13-25(14-12-23)30(34)31-26-15-17-27(18-16-26)37(35,36)32-29-10-4-8-24-7-2-3-9-28(24)29/h2-4,7-18,22,32H,5-6,19-21H2,1H3,(H,31,34)/t22-/m0/s1
InChIKeyVYZAEODIDVYFKT-QFIPXVFZSA-N
MW513.66 g/mol
LogP6.12
Rot. Bonds7

About 4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]benzamide

4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]benzamide (PubChem CID 93487102) has the molecular formula C30H31N3O3S and a molecular weight of 513.66 g/mol. Its IUPAC name is 4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]benzamide
PubChem CID93487102
Molecular FormulaC30H31N3O3S
Molecular Weight513.66 g/mol
Exact Mass513.21
IUPAC Name4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]benzamide
SMILESC[C@H]1CCCN(Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccc5ccccc45)cc3)cc2)C1
InChIInChI=1S/C30H31N3O3S/c1-22-6-5-19-33(20-22)21-23-11-13-25(14-12-23)30(34)31-26-15-17-27(18-16-26)37(35,36)32-29-10-4-8-24-7-2-3-9-28(24)29/h2-4,7-18,22,32H,5-6,19-21H2,1H3,(H,31,34)/t22-/m0/s1
InChIKeyVYZAEODIDVYFKT-QFIPXVFZSA-N
XLogP6.12
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.66
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide
CID 99950141
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]benzamide
CID 43880555
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 94864424
4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 94864423
N-(4-carbamoylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 38105189
N-[4-(naphthalen-1-ylsulfamoyl)phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 43904843
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 92671720
N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55715197
N-[4-(diethylaminomethyl)phenyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 99953059
3-acetamido-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]benzamide
CID 55729046
N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 55798631
N-(3,5-dimethylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 93490429

Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]benzamide?
The IUPAC name of 4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]benzamide (CID 93487102) is 4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]benzamide is C[C@H]1CCCN(Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccc5ccccc45)cc3)cc2)C1.
What is the InChIKey of 4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]benzamide?
The InChIKey is VYZAEODIDVYFKT-QFIPXVFZSA-N. The full InChI is InChI=1S/C30H31N3O3S/c1-22-6-5-19-33(20-22)21-23-11-13-25(14-12-23)30(34)31-26-15-17-27(18-16-26)37(35,36)32-29-10-4-8-24-7-2-3-9-28(24)29/h2-4,7-18,22,32H,5-6,19-21H2,1H3,(H,31,34)/t22-/m0/s1.
What are the key properties of 4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]benzamide?
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]benzamide has a molecular weight of 513.66 g/mol, XLogP of 6.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 93487102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).