2-[butyl(methyl)amino]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide

C19H31N3O3S — CID 31477878

IUPAC2-[butyl(methyl)amino]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCCCCN(C)CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C
InChIInChI=1S/C19H31N3O3S/c1-4-5-11-21(3)15-19(23)20-18-14-17(10-9-16(18)2)26(24,25)22-12-7-6-8-13-22/h9-10,14H,4-8,11-13,15H2,1-3H3,(H,20,23)
InChIKeyZZDKQNWIIAJGAA-UHFFFAOYSA-N
MW381.54 g/mol
LogP2.84
Rot. Bonds8

About 2-[butyl(methyl)amino]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide

2-[butyl(methyl)amino]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 31477878) has the molecular formula C19H31N3O3S and a molecular weight of 381.54 g/mol. Its IUPAC name is 2-[butyl(methyl)amino]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[butyl(methyl)amino]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID31477878
Molecular FormulaC19H31N3O3S
Molecular Weight381.54 g/mol
Exact Mass381.21
IUPAC Name2-[butyl(methyl)amino]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCCCCN(C)CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C
InChIInChI=1S/C19H31N3O3S/c1-4-5-11-21(3)15-19(23)20-18-14-17(10-9-16(18)2)26(24,25)22-12-7-6-8-13-22/h9-10,14H,4-8,11-13,15H2,1-3H3,(H,20,23)
InChIKeyZZDKQNWIIAJGAA-UHFFFAOYSA-N
XLogP2.84
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-cyanophenyl)methyl-propylamino]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 55843360
2-[bis(prop-2-enyl)amino]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 78793369
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-piperidin-1-ium-1-ylacetamide
CID 8894842
2-(cyclopentylamino)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4135329
3-[butyl(methyl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 108806921
2-[(4-chlorophenyl)methyl-methylamino]-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4818859
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide
CID 24507686
2-(4-ethoxyphenoxy)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 16546031
2-(2,3-dimethylanilino)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 9080862
2-(2-fluorophenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4798645
2-(4-methoxyphenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4796983
5-(azepan-1-ylsulfonyl)-N-butyl-2-methylbenzamide
CID 53281850

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methyl)amino]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[butyl(methyl)amino]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide (CID 31477878) is 2-[butyl(methyl)amino]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[butyl(methyl)amino]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[butyl(methyl)amino]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide is CCCCN(C)CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C.
What is the InChIKey of 2-[butyl(methyl)amino]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is ZZDKQNWIIAJGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3S/c1-4-5-11-21(3)15-19(23)20-18-14-17(10-9-16(18)2)26(24,25)22-12-7-6-8-13-22/h9-10,14H,4-8,11-13,15H2,1-3H3,(H,20,23).
What are the key properties of 2-[butyl(methyl)amino]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide?
2-[butyl(methyl)amino]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 381.54 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(methyl)amino]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 31477878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).