N-[(1-benzylpiperidin-3-yl)methyl]-7-methoxy-N-(2-methoxyethyl)naphthalene-2-sulfonamide

C27H34N2O4S — CID 178110631

IUPACN-[(1-benzylpiperidin-3-yl)methyl]-7-methoxy-N-(2-methoxyethyl)naphthalene-2-sulfonamide
SMILESCOCCN(CC1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc2ccc(OC)cc2c1
InChIInChI=1S/C27H34N2O4S/c1-32-16-15-29(21-23-9-6-14-28(20-23)19-22-7-4-3-5-8-22)34(30,31)27-13-11-24-10-12-26(33-2)17-25(24)18-27/h3-5,7-8,10-13,17-18,23H,6,9,14-16,19-21H2,1-2H3
InChIKeyPNMIYWXEFVPOPP-UHFFFAOYSA-N
MW482.65 g/mol
LogP4.40
Rot. Bonds10

About N-[(1-benzylpiperidin-3-yl)methyl]-7-methoxy-N-(2-methoxyethyl)naphthalene-2-sulfonamide

N-[(1-benzylpiperidin-3-yl)methyl]-7-methoxy-N-(2-methoxyethyl)naphthalene-2-sulfonamide (PubChem CID 178110631) has the molecular formula C27H34N2O4S and a molecular weight of 482.65 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-3-yl)methyl]-7-methoxy-N-(2-methoxyethyl)naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-3-yl)methyl]-7-methoxy-N-(2-methoxyethyl)naphthalene-2-sulfonamide
PubChem CID178110631
Molecular FormulaC27H34N2O4S
Molecular Weight482.65 g/mol
Exact Mass482.22
IUPAC NameN-[(1-benzylpiperidin-3-yl)methyl]-7-methoxy-N-(2-methoxyethyl)naphthalene-2-sulfonamide
SMILESCOCCN(CC1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc2ccc(OC)cc2c1
InChIInChI=1S/C27H34N2O4S/c1-32-16-15-29(21-23-9-6-14-28(20-23)19-22-7-4-3-5-8-22)34(30,31)27-13-11-24-10-12-26(33-2)17-25(24)18-27/h3-5,7-8,10-13,17-18,23H,6,9,14-16,19-21H2,1-2H3
InChIKeyPNMIYWXEFVPOPP-UHFFFAOYSA-N
XLogP4.40
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.65
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methyl]-N-(2-methoxyethyl)naphthalene-2-sulfonamide
CID 178110603
N-[[1-[(3-cyanophenyl)methyl]piperidin-3-yl]methyl]-N-(2-methoxyethyl)naphthalene-2-sulfonamide
CID 178110608
N-(2-methoxyethyl)-N-[(1-prop-2-ynylpiperidin-3-yl)methyl]naphthalene-2-sulfonamide
CID 134133379
N-[(1-benzylpiperidin-3-yl)methyl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 59098125
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 178110613
N-[(1-benzylpyrrolidin-3-yl)methyl]-N-(2-fluoroethyl)-4-methylbenzenesulfonamide
CID 14307755
N-(1-benzylpiperidin-3-yl)-N-(3-methoxyphenyl)benzenesulfonamide
CID 10113916
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-3-nitrobenzenesulfonamide
CID 178110665
(3R)-3-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 129394219
[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanamine
CID 42253835
N-(1-benzylpiperidin-4-yl)-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 10139868
[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanol
CID 54793850

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-3-yl)methyl]-7-methoxy-N-(2-methoxyethyl)naphthalene-2-sulfonamide?
The IUPAC name of N-[(1-benzylpiperidin-3-yl)methyl]-7-methoxy-N-(2-methoxyethyl)naphthalene-2-sulfonamide (CID 178110631) is N-[(1-benzylpiperidin-3-yl)methyl]-7-methoxy-N-(2-methoxyethyl)naphthalene-2-sulfonamide.
What is the SMILES notation for N-[(1-benzylpiperidin-3-yl)methyl]-7-methoxy-N-(2-methoxyethyl)naphthalene-2-sulfonamide?
The canonical SMILES for N-[(1-benzylpiperidin-3-yl)methyl]-7-methoxy-N-(2-methoxyethyl)naphthalene-2-sulfonamide is COCCN(CC1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc2ccc(OC)cc2c1.
What is the InChIKey of N-[(1-benzylpiperidin-3-yl)methyl]-7-methoxy-N-(2-methoxyethyl)naphthalene-2-sulfonamide?
The InChIKey is PNMIYWXEFVPOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O4S/c1-32-16-15-29(21-23-9-6-14-28(20-23)19-22-7-4-3-5-8-22)34(30,31)27-13-11-24-10-12-26(33-2)17-25(24)18-27/h3-5,7-8,10-13,17-18,23H,6,9,14-16,19-21H2,1-2H3.
What are the key properties of N-[(1-benzylpiperidin-3-yl)methyl]-7-methoxy-N-(2-methoxyethyl)naphthalene-2-sulfonamide?
N-[(1-benzylpiperidin-3-yl)methyl]-7-methoxy-N-(2-methoxyethyl)naphthalene-2-sulfonamide has a molecular weight of 482.65 g/mol, XLogP of 4.40, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-3-yl)methyl]-7-methoxy-N-(2-methoxyethyl)naphthalene-2-sulfonamide is sourced from PubChem (CID 178110631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).