N-pentyl-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide

C17H22N2O3S2 — CID 39266553

IUPACN-pentyl-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
SMILESCCCCCNC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C17H22N2O3S2/c1-2-3-4-11-18-16(20)13-14-7-9-15(10-8-14)19-24(21,22)17-6-5-12-23-17/h5-10,12,19H,2-4,11,13H2,1H3,(H,18,20)
InChIKeyQXVZYVWOEMIJLY-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.40
Rot. Bonds9

About N-pentyl-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide

N-pentyl-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide (PubChem CID 39266553) has the molecular formula C17H22N2O3S2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-pentyl-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-pentyl-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
PubChem CID39266553
Molecular FormulaC17H22N2O3S2
Molecular Weight366.51 g/mol
Exact Mass366.11
IUPAC NameN-pentyl-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
SMILESCCCCCNC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C17H22N2O3S2/c1-2-3-4-11-18-16(20)13-14-7-9-15(10-8-14)19-24(21,22)17-6-5-12-23-17/h5-10,12,19H,2-4,11,13H2,1H3,(H,18,20)
InChIKeyQXVZYVWOEMIJLY-UHFFFAOYSA-N
XLogP3.40
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.40
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

4-[[2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetyl]amino]butanoic acid
CID 119170907
N-(3-aminopropyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide;hydrochloride
CID 119408784
N-(3-propan-2-yloxypropyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39397239
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 55735081
N-pentyl-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55786585
N-[2-(diethylamino)propyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 55656034
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39625765
N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 55955386
N-(1-hydroxypropan-2-yl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 78856474
N-[(4-cyanophenyl)methyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 46591163
N-(4-chlorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39154419
3-[[2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetyl]amino]butanoic acid
CID 119221285

Frequently Asked Questions

What is the IUPAC name of N-pentyl-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide?
The IUPAC name of N-pentyl-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide (CID 39266553) is N-pentyl-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide.
What is the SMILES notation for N-pentyl-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide?
The canonical SMILES for N-pentyl-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide is CCCCCNC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-pentyl-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide?
The InChIKey is QXVZYVWOEMIJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S2/c1-2-3-4-11-18-16(20)13-14-7-9-15(10-8-14)19-24(21,22)17-6-5-12-23-17/h5-10,12,19H,2-4,11,13H2,1H3,(H,18,20).
What are the key properties of N-pentyl-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide?
N-pentyl-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide has a molecular weight of 366.51 g/mol, XLogP of 3.40, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide is sourced from PubChem (CID 39266553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).