N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(thiophen-2-ylsulfonylamino)benzamide

C18H21N3O4S2 — CID 2359615

IUPACN-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(NCCCN1CCCC1=O)c1ccccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C18H21N3O4S2/c22-16-8-3-11-21(16)12-5-10-19-18(23)14-6-1-2-7-15(14)20-27(24,25)17-9-4-13-26-17/h1-2,4,6-7,9,13,20H,3,5,8,10-12H2,(H,19,23)
InChIKeyLJMGQRFINFUPFO-UHFFFAOYSA-N
MW407.52 g/mol
LogP2.29
Rot. Bonds8

About N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(thiophen-2-ylsulfonylamino)benzamide

N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 2359615) has the molecular formula C18H21N3O4S2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID2359615
Molecular FormulaC18H21N3O4S2
Molecular Weight407.52 g/mol
Exact Mass407.10
IUPAC NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(NCCCN1CCCC1=O)c1ccccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C18H21N3O4S2/c22-16-8-3-11-21(16)12-5-10-19-18(23)14-6-1-2-7-15(14)20-27(24,25)17-9-4-13-26-17/h1-2,4,6-7,9,13,20H,3,5,8,10-12H2,(H,19,23)
InChIKeyLJMGQRFINFUPFO-UHFFFAOYSA-N
XLogP2.29
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-nitrophenyl)sulfonylamino]-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 46613626
2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyridine-3-carboxamide
CID 34842840
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 35991644
2-chloro-N-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]propyl]benzamide
CID 30483231
2-methoxy-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 78802433
N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 176776996
2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-quinoline-4-carboxamide
CID 42992469
N-(3-piperidin-1-ylpropyl)-4-(thiophen-2-ylsulfonylamino)benzamide
CID 18150972
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 117093615
2-methyl-N-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]benzamide
CID 46522177
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide
CID 4787941
2-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-(3-methoxypropyl)benzamide
CID 100539081

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(thiophen-2-ylsulfonylamino)benzamide (CID 2359615) is N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(thiophen-2-ylsulfonylamino)benzamide is O=C(NCCCN1CCCC1=O)c1ccccc1NS(=O)(=O)c1cccs1.
What is the InChIKey of N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is LJMGQRFINFUPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S2/c22-16-8-3-11-21(16)12-5-10-19-18(23)14-6-1-2-7-15(14)20-27(24,25)17-9-4-13-26-17/h1-2,4,6-7,9,13,20H,3,5,8,10-12H2,(H,19,23).
What are the key properties of N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(thiophen-2-ylsulfonylamino)benzamide?
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 407.52 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 2359615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).