3-[butyl(methyl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide

C19H31N3O3S — CID 108806921

IUPAC3-[butyl(methyl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCCCCN(C)CCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H31N3O3S/c1-3-4-13-21(2)16-12-19(23)20-17-8-10-18(11-9-17)26(24,25)22-14-6-5-7-15-22/h8-11H,3-7,12-16H2,1-2H3,(H,20,23)
InChIKeyZAZIYQLYFNKWSI-UHFFFAOYSA-N
MW381.54 g/mol
LogP2.92
Rot. Bonds9

About 3-[butyl(methyl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide

3-[butyl(methyl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide (PubChem CID 108806921) has the molecular formula C19H31N3O3S and a molecular weight of 381.54 g/mol. Its IUPAC name is 3-[butyl(methyl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name3-[butyl(methyl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
PubChem CID108806921
Molecular FormulaC19H31N3O3S
Molecular Weight381.54 g/mol
Exact Mass381.21
IUPAC Name3-[butyl(methyl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCCCCN(C)CCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H31N3O3S/c1-3-4-13-21(2)16-12-19(23)20-17-8-10-18(11-9-17)26(24,25)22-14-6-5-7-15-22/h8-11H,3-7,12-16H2,1-2H3,(H,20,23)
InChIKeyZAZIYQLYFNKWSI-UHFFFAOYSA-N
XLogP2.92
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[butyl(methyl)amino]-N-(4-piperidin-1-ylphenyl)propanamide
CID 108795373
4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxobutanoate
CID 6968365
methyl 4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxobutanoate
CID 650944
2-[(4-ethylphenyl)methyl-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 8907976
2-[butyl(methyl)amino]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 31477878
N-(3-piperidin-1-ylsulfonylphenyl)pentanamide
CID 8883555
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]octanamide
CID 4958592
3-[butyl(methyl)amino]-N-(4-iodophenyl)propanamide
CID 108795422
N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 832695
4-(4-fluoro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 21367388
3-(benzenesulfonyl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 3163464
methyl 3-oxo-3-(4-pyrrolidin-1-ylsulfonylanilino)propanoate
CID 28637929

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(methyl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of 3-[butyl(methyl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide (CID 108806921) is 3-[butyl(methyl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 3-[butyl(methyl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for 3-[butyl(methyl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide is CCCCN(C)CCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 3-[butyl(methyl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is ZAZIYQLYFNKWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3S/c1-3-4-13-21(2)16-12-19(23)20-17-8-10-18(11-9-17)26(24,25)22-14-6-5-7-15-22/h8-11H,3-7,12-16H2,1-2H3,(H,20,23).
What are the key properties of 3-[butyl(methyl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
3-[butyl(methyl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 381.54 g/mol, XLogP of 2.92, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(methyl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 108806921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).