1-(4-methoxyphenyl)sulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]piperidine-4-carboxamide

C26H34N2O4S — CID 133191833

IUPAC1-(4-methoxyphenyl)sulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]piperidine-4-carboxamide
SMILESCCC(NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C26H34N2O4S/c1-3-25(22-9-8-19-6-4-5-7-21(19)18-22)27-26(29)20-14-16-28(17-15-20)33(30,31)24-12-10-23(32-2)11-13-24/h8-13,18,20,25H,3-7,14-17H2,1-2H3,(H,27,29)
InChIKeyBDWYJOQDECQYNS-UHFFFAOYSA-N
MW470.64 g/mol
LogP4.24
Rot. Bonds7

About 1-(4-methoxyphenyl)sulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]piperidine-4-carboxamide

1-(4-methoxyphenyl)sulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]piperidine-4-carboxamide (PubChem CID 133191833) has the molecular formula C26H34N2O4S and a molecular weight of 470.64 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]piperidine-4-carboxamide
PubChem CID133191833
Molecular FormulaC26H34N2O4S
Molecular Weight470.64 g/mol
Exact Mass470.22
IUPAC Name1-(4-methoxyphenyl)sulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]piperidine-4-carboxamide
SMILESCCC(NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C26H34N2O4S/c1-3-25(22-9-8-19-6-4-5-7-21(19)18-22)27-26(29)20-14-16-28(17-15-20)33(30,31)24-12-10-23(32-2)11-13-24/h8-13,18,20,25H,3-7,14-17H2,1-2H3,(H,27,29)
InChIKeyBDWYJOQDECQYNS-UHFFFAOYSA-N
XLogP4.24
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.64
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 133167146
N-[1-(4-methoxyphenyl)propyl]-1-sulfamoylpiperidine-4-carboxamide
CID 43072801
2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide
CID 133191413
(3S)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 125057960
N-[1-(4-methoxyphenyl)propyl]-1-methylpiperidine-4-carboxamide
CID 132649950
N-[1-(3-chlorophenyl)propyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 55583558
N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 100592644
6-chloro-4-(4-methoxyphenyl)sulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 133191594
N-[1-(4-methoxyphenyl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 78625788
2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide
CID 133191404
(3S)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 125084727
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 133191545

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]piperidine-4-carboxamide (CID 133191833) is 1-(4-methoxyphenyl)sulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]piperidine-4-carboxamide is CCC(NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)c1ccc2c(c1)CCCC2.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]piperidine-4-carboxamide?
The InChIKey is BDWYJOQDECQYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O4S/c1-3-25(22-9-8-19-6-4-5-7-21(19)18-22)27-26(29)20-14-16-28(17-15-20)33(30,31)24-12-10-23(32-2)11-13-24/h8-13,18,20,25H,3-7,14-17H2,1-2H3,(H,27,29).
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]piperidine-4-carboxamide?
1-(4-methoxyphenyl)sulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]piperidine-4-carboxamide has a molecular weight of 470.64 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 133191833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).