N-[5-[butyl(methyl)amino]-2-pyridinyl]-3-phenylpropane-1-sulfonamide

C19H27N3O2S — CID 113030616

IUPACN-[5-[butyl(methyl)amino]-2-pyridinyl]-3-phenylpropane-1-sulfonamide
SMILESCCCCN(C)c1ccc(NS(=O)(=O)CCCc2ccccc2)nc1
InChIInChI=1S/C19H27N3O2S/c1-3-4-14-22(2)18-12-13-19(20-16-18)21-25(23,24)15-8-11-17-9-6-5-7-10-17/h5-7,9-10,12-13,16H,3-4,8,11,14-15H2,1-2H3,(H,20,21)
InChIKeyXENDNVAYAYEHKS-UHFFFAOYSA-N
MW361.51 g/mol
LogP3.69
Rot. Bonds10

About N-[5-[butyl(methyl)amino]-2-pyridinyl]-3-phenylpropane-1-sulfonamide

N-[5-[butyl(methyl)amino]-2-pyridinyl]-3-phenylpropane-1-sulfonamide (PubChem CID 113030616) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is N-[5-[butyl(methyl)amino]-2-pyridinyl]-3-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[5-[butyl(methyl)amino]-2-pyridinyl]-3-phenylpropane-1-sulfonamide
PubChem CID113030616
Molecular FormulaC19H27N3O2S
Molecular Weight361.51 g/mol
Exact Mass361.18
IUPAC NameN-[5-[butyl(methyl)amino]-2-pyridinyl]-3-phenylpropane-1-sulfonamide
SMILESCCCCN(C)c1ccc(NS(=O)(=O)CCCc2ccccc2)nc1
InChIInChI=1S/C19H27N3O2S/c1-3-4-14-22(2)18-12-13-19(20-16-18)21-25(23,24)15-8-11-17-9-6-5-7-10-17/h5-7,9-10,12-13,16H,3-4,8,11,14-15H2,1-2H3,(H,20,21)
InChIKeyXENDNVAYAYEHKS-UHFFFAOYSA-N
XLogP3.69
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[butyl(methyl)amino]-2-pyridinyl]methanesulfonamide
CID 113030576
N-[6-[butyl(methyl)amino]-3-pyridinyl]-3-phenylpropane-1-sulfonamide
CID 113015430
N-[5-(diethylamino)-2-pyridinyl]-2-phenylethanesulfonamide
CID 113029780
N-[5-[benzyl(methyl)amino]-2-pyridinyl]ethanesulfonamide
CID 113026944
N-(5-anilino-2-pyridinyl)-3-phenylpropane-1-sulfonamide
CID 113031280
N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-3-phenylpropane-1-sulfonamide
CID 113026569
N-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]benzenesulfonamide
CID 113028583
5-[benzyl(ethyl)amino]-2-(dimethylsulfamoylamino)pyridine
CID 113027603
N-[6-(butylamino)-3-pyridinyl]-2-phenylethanesulfonamide
CID 113009555
N-[6-(2-ethylanilino)-3-pyridinyl]-3-phenylpropane-1-sulfonamide
CID 113017433
N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-3-phenylpropane-1-sulfonamide
CID 113027066
N-[5-[butyl(methyl)amino]-2-pyridinyl]-2-(2-methoxyphenoxy)acetamide
CID 113030554

Frequently Asked Questions

What is the IUPAC name of N-[5-[butyl(methyl)amino]-2-pyridinyl]-3-phenylpropane-1-sulfonamide?
The IUPAC name of N-[5-[butyl(methyl)amino]-2-pyridinyl]-3-phenylpropane-1-sulfonamide (CID 113030616) is N-[5-[butyl(methyl)amino]-2-pyridinyl]-3-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-[5-[butyl(methyl)amino]-2-pyridinyl]-3-phenylpropane-1-sulfonamide?
The canonical SMILES for N-[5-[butyl(methyl)amino]-2-pyridinyl]-3-phenylpropane-1-sulfonamide is CCCCN(C)c1ccc(NS(=O)(=O)CCCc2ccccc2)nc1.
What is the InChIKey of N-[5-[butyl(methyl)amino]-2-pyridinyl]-3-phenylpropane-1-sulfonamide?
The InChIKey is XENDNVAYAYEHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S/c1-3-4-14-22(2)18-12-13-19(20-16-18)21-25(23,24)15-8-11-17-9-6-5-7-10-17/h5-7,9-10,12-13,16H,3-4,8,11,14-15H2,1-2H3,(H,20,21).
What are the key properties of N-[5-[butyl(methyl)amino]-2-pyridinyl]-3-phenylpropane-1-sulfonamide?
N-[5-[butyl(methyl)amino]-2-pyridinyl]-3-phenylpropane-1-sulfonamide has a molecular weight of 361.51 g/mol, XLogP of 3.69, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[butyl(methyl)amino]-2-pyridinyl]-3-phenylpropane-1-sulfonamide is sourced from PubChem (CID 113030616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).