N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide

C27H33N3O3S — CID 46465675

IUPACN-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
SMILESCC1CCCN(Cc2ccc(CNC(=O)CCNS(=O)(=O)c3ccc4ccccc4c3)cc2)C1
InChIInChI=1S/C27H33N3O3S/c1-21-5-4-16-30(19-21)20-23-10-8-22(9-11-23)18-28-27(31)14-15-29-34(32,33)26-13-12-24-6-2-3-7-25(24)17-26/h2-3,6-13,17,21,29H,4-5,14-16,18-20H2,1H3,(H,28,31)
InChIKeyDUDJOIDZIFXMKI-UHFFFAOYSA-N
MW479.65 g/mol
LogP4.06
Rot. Bonds9

About N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide

N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide (PubChem CID 46465675) has the molecular formula C27H33N3O3S and a molecular weight of 479.65 g/mol. Its IUPAC name is N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
PubChem CID46465675
Molecular FormulaC27H33N3O3S
Molecular Weight479.65 g/mol
Exact Mass479.22
IUPAC NameN-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
SMILESCC1CCCN(Cc2ccc(CNC(=O)CCNS(=O)(=O)c3ccc4ccccc4c3)cc2)C1
InChIInChI=1S/C27H33N3O3S/c1-21-5-4-16-30(19-21)20-23-10-8-22(9-11-23)18-28-27(31)14-15-29-34(32,33)26-13-12-24-6-2-3-7-25(24)17-26/h2-3,6-13,17,21,29H,4-5,14-16,18-20H2,1H3,(H,28,31)
InChIKeyDUDJOIDZIFXMKI-UHFFFAOYSA-N
XLogP4.06
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.65
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzenesulfonamido)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 18119432
3-[(4-methylphenyl)sulfonylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 8545586
4-(2-cyanoethylsulfamoyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 46465715
N-methyl-4-[[3-(naphthalen-2-ylsulfonylamino)propanoylamino]methyl]-N-propan-2-ylbenzamide
CID 55636084
N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)acetamide
CID 60556582
N-[(3-methoxyphenyl)methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 9495720
3-(cyclopropylsulfamoyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 55705272
3-(3-fluorophenoxy)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 47035366
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]benzamide
CID 93487102
3-(naphthalen-2-ylsulfonylamino)-N-piperidin-1-ylpropanamide
CID 9271723
3-(furan-2-yl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 46470241
3-(naphthalen-2-ylsulfonylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 17459741

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide?
The IUPAC name of N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide (CID 46465675) is N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide?
The canonical SMILES for N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide is CC1CCCN(Cc2ccc(CNC(=O)CCNS(=O)(=O)c3ccc4ccccc4c3)cc2)C1.
What is the InChIKey of N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide?
The InChIKey is DUDJOIDZIFXMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O3S/c1-21-5-4-16-30(19-21)20-23-10-8-22(9-11-23)18-28-27(31)14-15-29-34(32,33)26-13-12-24-6-2-3-7-25(24)17-26/h2-3,6-13,17,21,29H,4-5,14-16,18-20H2,1H3,(H,28,31).
What are the key properties of N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide?
N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide has a molecular weight of 479.65 g/mol, XLogP of 4.06, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 46465675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).