3-(4-methylpiperidin-1-yl)sulfonyl-N-pentylbenzamide

C18H28N2O3S — CID 109063454

IUPAC3-(4-methylpiperidin-1-yl)sulfonyl-N-pentylbenzamide
SMILESCCCCCNC(=O)c1cccc(S(=O)(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C18H28N2O3S/c1-3-4-5-11-19-18(21)16-7-6-8-17(14-16)24(22,23)20-12-9-15(2)10-13-20/h6-8,14-15H,3-5,9-13H2,1-2H3,(H,19,21)
InChIKeyQDSZLFVXBDANDM-UHFFFAOYSA-N
MW352.50 g/mol
LogP3.03
Rot. Bonds7

About 3-(4-methylpiperidin-1-yl)sulfonyl-N-pentylbenzamide

3-(4-methylpiperidin-1-yl)sulfonyl-N-pentylbenzamide (PubChem CID 109063454) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is 3-(4-methylpiperidin-1-yl)sulfonyl-N-pentylbenzamide.

Molecular Properties

Compound Name3-(4-methylpiperidin-1-yl)sulfonyl-N-pentylbenzamide
PubChem CID109063454
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC Name3-(4-methylpiperidin-1-yl)sulfonyl-N-pentylbenzamide
SMILESCCCCCNC(=O)c1cccc(S(=O)(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C18H28N2O3S/c1-3-4-5-11-19-18(21)16-7-6-8-17(14-16)24(22,23)20-12-9-15(2)10-13-20/h6-8,14-15H,3-5,9-13H2,1-2H3,(H,19,21)
InChIKeyQDSZLFVXBDANDM-UHFFFAOYSA-N
XLogP3.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyclopentylsulfanylethyl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 100750646
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-pentylbenzamide
CID 109065051
N-(3-butoxypropyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 46799032
N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 94141666
3-(4-methylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 2953675
N-(1-methylpiperidin-4-yl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 50947164
3-(azepan-1-ylsulfonyl)-N-(3-ethoxypropyl)benzamide
CID 38704329
N-[(3-ethoxyphenyl)methyl]-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 53285618
N-butyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide
CID 26590878
N-[(3R)-1,1-dioxothiolan-3-yl]-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 7260135
N-ethyl-2-[[3-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]benzamide
CID 3241862
N-[3-[(2R)-2-methylpiperidin-1-ium-1-yl]propyl]-3-piperidin-1-ylsulfonylbenzamide
CID 9472505

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperidin-1-yl)sulfonyl-N-pentylbenzamide?
The IUPAC name of 3-(4-methylpiperidin-1-yl)sulfonyl-N-pentylbenzamide (CID 109063454) is 3-(4-methylpiperidin-1-yl)sulfonyl-N-pentylbenzamide.
What is the SMILES notation for 3-(4-methylpiperidin-1-yl)sulfonyl-N-pentylbenzamide?
The canonical SMILES for 3-(4-methylpiperidin-1-yl)sulfonyl-N-pentylbenzamide is CCCCCNC(=O)c1cccc(S(=O)(=O)N2CCC(C)CC2)c1.
What is the InChIKey of 3-(4-methylpiperidin-1-yl)sulfonyl-N-pentylbenzamide?
The InChIKey is QDSZLFVXBDANDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-3-4-5-11-19-18(21)16-7-6-8-17(14-16)24(22,23)20-12-9-15(2)10-13-20/h6-8,14-15H,3-5,9-13H2,1-2H3,(H,19,21).
What are the key properties of 3-(4-methylpiperidin-1-yl)sulfonyl-N-pentylbenzamide?
3-(4-methylpiperidin-1-yl)sulfonyl-N-pentylbenzamide has a molecular weight of 352.50 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperidin-1-yl)sulfonyl-N-pentylbenzamide is sourced from PubChem (CID 109063454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).