N-pentyl-3-(thiophen-2-ylsulfonylamino)benzamide

C16H20N2O3S2 — CID 55786585

IUPACN-pentyl-3-(thiophen-2-ylsulfonylamino)benzamide
SMILESCCCCCNC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C16H20N2O3S2/c1-2-3-4-10-17-16(19)13-7-5-8-14(12-13)18-23(20,21)15-9-6-11-22-15/h5-9,11-12,18H,2-4,10H2,1H3,(H,17,19)
InChIKeyMVGJMBQPPKCPET-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.47
Rot. Bonds8

About N-pentyl-3-(thiophen-2-ylsulfonylamino)benzamide

N-pentyl-3-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 55786585) has the molecular formula C16H20N2O3S2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-pentyl-3-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-pentyl-3-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID55786585
Molecular FormulaC16H20N2O3S2
Molecular Weight352.48 g/mol
Exact Mass352.09
IUPAC NameN-pentyl-3-(thiophen-2-ylsulfonylamino)benzamide
SMILESCCCCCNC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C16H20N2O3S2/c1-2-3-4-10-17-16(19)13-7-5-8-14(12-13)18-23(20,21)15-9-6-11-22-15/h5-9,11-12,18H,2-4,10H2,1H3,(H,17,19)
InChIKeyMVGJMBQPPKCPET-UHFFFAOYSA-N
XLogP3.47
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
CID 119432119
N-pentyl-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39266553
N-[2-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 120826976
N-[2-(3-fluorophenyl)ethyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55788608
3-[(3-acetylphenyl)sulfamoyl]-N-pentylbenzamide
CID 109065428
N-(1-aminohexan-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
CID 119667025
N-(2-phenylbutyl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 46489998
N-(3-amino-2-methylpropyl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
CID 119995200
3-[(3,4-dichlorophenyl)sulfonylamino]-N-pentylbenzamide
CID 7908049
N-[(4-chlorophenyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55786642
N-[(2,4-dimethylphenyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55830367
N-(1-hydroxypropan-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 78896710

Frequently Asked Questions

What is the IUPAC name of N-pentyl-3-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-pentyl-3-(thiophen-2-ylsulfonylamino)benzamide (CID 55786585) is N-pentyl-3-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-pentyl-3-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-pentyl-3-(thiophen-2-ylsulfonylamino)benzamide is CCCCCNC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-pentyl-3-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is MVGJMBQPPKCPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S2/c1-2-3-4-10-17-16(19)13-7-5-8-14(12-13)18-23(20,21)15-9-6-11-22-15/h5-9,11-12,18H,2-4,10H2,1H3,(H,17,19).
What are the key properties of N-pentyl-3-(thiophen-2-ylsulfonylamino)benzamide?
N-pentyl-3-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 352.48 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-3-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 55786585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).