N-pentyl-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenoxy]pyridine-3-carboxamide

C27H31N3O4S — CID 53120314

IUPACN-pentyl-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenoxy]pyridine-3-carboxamide
SMILESCCCCCNC(=O)c1cccnc1Oc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C27H31N3O4S/c1-2-3-6-17-28-26(31)25-10-7-18-29-27(25)34-23-14-12-22(13-15-23)30-35(32,33)24-16-11-20-8-4-5-9-21(20)19-24/h7,10-16,18-19,30H,2-6,8-9,17H2,1H3,(H,28,31)
InChIKeyMAFHVKJVLTZYQR-UHFFFAOYSA-N
MW493.63 g/mol
LogP5.47
Rot. Bonds10

About N-pentyl-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenoxy]pyridine-3-carboxamide

N-pentyl-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenoxy]pyridine-3-carboxamide (PubChem CID 53120314) has the molecular formula C27H31N3O4S and a molecular weight of 493.63 g/mol. Its IUPAC name is N-pentyl-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-pentyl-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenoxy]pyridine-3-carboxamide
PubChem CID53120314
Molecular FormulaC27H31N3O4S
Molecular Weight493.63 g/mol
Exact Mass493.20
IUPAC NameN-pentyl-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenoxy]pyridine-3-carboxamide
SMILESCCCCCNC(=O)c1cccnc1Oc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C27H31N3O4S/c1-2-3-6-17-28-26(31)25-10-7-18-29-27(25)34-23-14-12-22(13-15-23)30-35(32,33)24-16-11-20-8-4-5-9-21(20)19-24/h7,10-16,18-19,30H,2-6,8-9,17H2,1H3,(H,28,31)
InChIKeyMAFHVKJVLTZYQR-UHFFFAOYSA-N
XLogP5.47
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.63
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-[(4-methylphenyl)sulfonylamino]phenoxy]-N-pentylpyridine-3-carboxamide
CID 53117640
2-[3-(methanesulfonamido)phenoxy]-N-pentylpyridine-3-carboxamide
CID 53117639
N-ethyl-2-[4-(methanesulfonamido)phenoxy]pyridine-3-carboxamide
CID 53120244
2-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenoxy]-N-propylpyridine-3-carboxamide
CID 53120284
2-[4-[(4-cyclohexylphenyl)sulfonylamino]phenoxy]-N-ethylpyridine-3-carboxamide
CID 53120274
2-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-propylpyridine-3-carboxamide
CID 53120306
2-[4-[(4-acetamidophenyl)sulfonylamino]phenoxy]-N-cyclopentylpyridine-3-carboxamide
CID 53120219
2-[4-[(4-bromophenyl)sulfonylamino]phenoxy]-N-prop-2-enylpyridine-3-carboxamide
CID 53120168
2-[4-[(4-bromophenyl)sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide
CID 53120166
N-(2,3-dihydro-1H-inden-5-yl)-2-phenoxypyridine-3-carboxamide
CID 24514604
2-[4-(methanesulfonamido)phenoxy]-N-prop-2-enylpyridine-3-carboxamide
CID 53120247
N-[6-(butylamino)-3-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113009531

Frequently Asked Questions

What is the IUPAC name of N-pentyl-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenoxy]pyridine-3-carboxamide?
The IUPAC name of N-pentyl-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenoxy]pyridine-3-carboxamide (CID 53120314) is N-pentyl-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-pentyl-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenoxy]pyridine-3-carboxamide?
The canonical SMILES for N-pentyl-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenoxy]pyridine-3-carboxamide is CCCCCNC(=O)c1cccnc1Oc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)cc1.
What is the InChIKey of N-pentyl-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenoxy]pyridine-3-carboxamide?
The InChIKey is MAFHVKJVLTZYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O4S/c1-2-3-6-17-28-26(31)25-10-7-18-29-27(25)34-23-14-12-22(13-15-23)30-35(32,33)24-16-11-20-8-4-5-9-21(20)19-24/h7,10-16,18-19,30H,2-6,8-9,17H2,1H3,(H,28,31).
What are the key properties of N-pentyl-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenoxy]pyridine-3-carboxamide?
N-pentyl-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenoxy]pyridine-3-carboxamide has a molecular weight of 493.63 g/mol, XLogP of 5.47, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 53120314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).