N-(3-piperidin-1-ylsulfonylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C22H26N2O3S — CID 166192033

IUPACN-(3-piperidin-1-ylsulfonylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H26N2O3S/c25-22(19-12-11-17-7-2-3-8-18(17)15-19)23-20-9-6-10-21(16-20)28(26,27)24-13-4-1-5-14-24/h6,9-12,15-16H,1-5,7-8,13-14H2,(H,23,25)
InChIKeyANRYPKRJCCTOFO-UHFFFAOYSA-N
MW398.53 g/mol
LogP3.99
Rot. Bonds4

About N-(3-piperidin-1-ylsulfonylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide

N-(3-piperidin-1-ylsulfonylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 166192033) has the molecular formula C22H26N2O3S and a molecular weight of 398.53 g/mol. Its IUPAC name is N-(3-piperidin-1-ylsulfonylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(3-piperidin-1-ylsulfonylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID166192033
Molecular FormulaC22H26N2O3S
Molecular Weight398.53 g/mol
Exact Mass398.17
IUPAC NameN-(3-piperidin-1-ylsulfonylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H26N2O3S/c25-22(19-12-11-17-7-2-3-8-18(17)15-19)23-20-9-6-10-21(16-20)28(26,27)24-13-4-1-5-14-24/h6,9-12,15-16H,1-5,7-8,13-14H2,(H,23,25)
InChIKeyANRYPKRJCCTOFO-UHFFFAOYSA-N
XLogP3.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[3-(azepan-1-ylsulfonyl)phenyl]thiophene-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-piperidin-1-ylsulfonylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-(3-piperidin-1-ylsulfonylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 166192033) is N-(3-piperidin-1-ylsulfonylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(3-piperidin-1-ylsulfonylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(3-piperidin-1-ylsulfonylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide is O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-(3-piperidin-1-ylsulfonylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is ANRYPKRJCCTOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3S/c25-22(19-12-11-17-7-2-3-8-18(17)15-19)23-20-9-6-10-21(16-20)28(26,27)24-13-4-1-5-14-24/h6,9-12,15-16H,1-5,7-8,13-14H2,(H,23,25).
What are the key properties of N-(3-piperidin-1-ylsulfonylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
N-(3-piperidin-1-ylsulfonylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 398.53 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperidin-1-ylsulfonylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 166192033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).