N-[6-[2-(2-methoxyphenyl)ethylamino]-3-pyridinyl]butane-1-sulfonamide

C18H25N3O3S — CID 113013406

IUPACN-[6-[2-(2-methoxyphenyl)ethylamino]-3-pyridinyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(NCCc2ccccc2OC)nc1
InChIInChI=1S/C18H25N3O3S/c1-3-4-13-25(22,23)21-16-9-10-18(20-14-16)19-12-11-15-7-5-6-8-17(15)24-2/h5-10,14,21H,3-4,11-13H2,1-2H3,(H,19,20)
InChIKeyRMLAZKOJMWLSJQ-UHFFFAOYSA-N
MW363.48 g/mol
LogP3.29
Rot. Bonds10

About N-[6-[2-(2-methoxyphenyl)ethylamino]-3-pyridinyl]butane-1-sulfonamide

N-[6-[2-(2-methoxyphenyl)ethylamino]-3-pyridinyl]butane-1-sulfonamide (PubChem CID 113013406) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-[6-[2-(2-methoxyphenyl)ethylamino]-3-pyridinyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[6-[2-(2-methoxyphenyl)ethylamino]-3-pyridinyl]butane-1-sulfonamide
PubChem CID113013406
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC NameN-[6-[2-(2-methoxyphenyl)ethylamino]-3-pyridinyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(NCCc2ccccc2OC)nc1
InChIInChI=1S/C18H25N3O3S/c1-3-4-13-25(22,23)21-16-9-10-18(20-14-16)19-12-11-15-7-5-6-8-17(15)24-2/h5-10,14,21H,3-4,11-13H2,1-2H3,(H,19,20)
InChIKeyRMLAZKOJMWLSJQ-UHFFFAOYSA-N
XLogP3.29
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(butylamino)-3-pyridinyl]-2-phenylethanesulfonamide
CID 113009555
N-[6-[2-(2-methoxyphenyl)ethylamino]-3-pyridinyl]butanamide
CID 113013351
N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]methanesulfonamide
CID 113012399
N-[6-[2-(2,4-dichlorophenyl)ethylamino]-3-pyridinyl]propane-1-sulfonamide
CID 113015866
N-butyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyridine-3-carboxamide
CID 109158752
N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]butane-1-sulfonamide
CID 113017701
N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]butane-1-sulfonamide
CID 113010893
6-N-butyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112855105
N-(4-ethylphenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109158771
N-[5-(2-methylanilino)-2-pyridinyl]butane-1-sulfonamide
CID 113031365
N-(4-fluorophenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109158776
N-[6-(butylamino)-3-pyridinyl]-2-methoxybenzamide
CID 113009462

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(2-methoxyphenyl)ethylamino]-3-pyridinyl]butane-1-sulfonamide?
The IUPAC name of N-[6-[2-(2-methoxyphenyl)ethylamino]-3-pyridinyl]butane-1-sulfonamide (CID 113013406) is N-[6-[2-(2-methoxyphenyl)ethylamino]-3-pyridinyl]butane-1-sulfonamide.
What is the SMILES notation for N-[6-[2-(2-methoxyphenyl)ethylamino]-3-pyridinyl]butane-1-sulfonamide?
The canonical SMILES for N-[6-[2-(2-methoxyphenyl)ethylamino]-3-pyridinyl]butane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccc(NCCc2ccccc2OC)nc1.
What is the InChIKey of N-[6-[2-(2-methoxyphenyl)ethylamino]-3-pyridinyl]butane-1-sulfonamide?
The InChIKey is RMLAZKOJMWLSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-3-4-13-25(22,23)21-16-9-10-18(20-14-16)19-12-11-15-7-5-6-8-17(15)24-2/h5-10,14,21H,3-4,11-13H2,1-2H3,(H,19,20).
What are the key properties of N-[6-[2-(2-methoxyphenyl)ethylamino]-3-pyridinyl]butane-1-sulfonamide?
N-[6-[2-(2-methoxyphenyl)ethylamino]-3-pyridinyl]butane-1-sulfonamide has a molecular weight of 363.48 g/mol, XLogP of 3.29, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(2-methoxyphenyl)ethylamino]-3-pyridinyl]butane-1-sulfonamide is sourced from PubChem (CID 113013406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).