N-(3-imidazol-1-ylpropyl)-3,5-bis(thiophen-2-ylsulfonylamino)benzamide

C21H21N5O5S4 — CID 4070087

IUPACN-(3-imidazol-1-ylpropyl)-3,5-bis(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(NCCCn1ccnc1)c1cc(NS(=O)(=O)c2cccs2)cc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C21H21N5O5S4/c27-21(23-6-3-8-26-9-7-22-15-26)16-12-17(24-34(28,29)19-4-1-10-32-19)14-18(13-16)25-35(30,31)20-5-2-11-33-20/h1-2,4-5,7,9-15,24-25H,3,6,8H2,(H,23,27)
InChIKeyJTBHOLXTLQNFMP-UHFFFAOYSA-N
MW551.70 g/mol
LogP3.43
Rot. Bonds11

About N-(3-imidazol-1-ylpropyl)-3,5-bis(thiophen-2-ylsulfonylamino)benzamide

N-(3-imidazol-1-ylpropyl)-3,5-bis(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 4070087) has the molecular formula C21H21N5O5S4 and a molecular weight of 551.70 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-3,5-bis(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-3,5-bis(thiophen-2-ylsulfonylamino)benzamide
PubChem CID4070087
Molecular FormulaC21H21N5O5S4
Molecular Weight551.70 g/mol
Exact Mass551.04
IUPAC NameN-(3-imidazol-1-ylpropyl)-3,5-bis(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(NCCCn1ccnc1)c1cc(NS(=O)(=O)c2cccs2)cc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C21H21N5O5S4/c27-21(23-6-3-8-26-9-7-22-15-26)16-12-17(24-34(28,29)19-4-1-10-32-19)14-18(13-16)25-35(30,31)20-5-2-11-33-20/h1-2,4-5,7,9-15,24-25H,3,6,8H2,(H,23,27)
InChIKeyJTBHOLXTLQNFMP-UHFFFAOYSA-N
XLogP3.43
TPSA139.26 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.70
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-(3-imidazol-1-ylpropyl)-3,5-bis(thiophen-2-ylsulfonylamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-imidazol-1-ylpropyl)-4-(thiophen-2-ylsulfonylamino)benzamide
CID 30944474
N-(4-imidazol-1-ylbutyl)thiophene-2-carboxamide
CID 13371093
N-[3-(hydrazinecarbonyl)-5-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-sulfonamide
CID 2386135
N-(6-imidazol-1-ylhexyl)thiophene-2-carboxamide
CID 110442375
3-[(3,4-dichlorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)benzamide
CID 35513286
N-(3-piperidin-1-ylpropyl)-4-(thiophen-2-ylsulfonylamino)benzamide
CID 18150972
3-[(3-chlorophenyl)sulfamoyl]-N-(3-imidazol-1-ylpropyl)benzamide
CID 35513232
N-pentyl-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55786585
3-benzamido-N-(3-imidazol-1-ylpropyl)benzamide
CID 4144744
2-N,4-N-bis(3-imidazol-1-ylpropyl)pyridine-2,4-dicarboxamide
CID 10177866
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(4-imidazol-1-ylbutyl)benzamide
CID 55975766
N-[3-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
CID 119432119

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-3,5-bis(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-3,5-bis(thiophen-2-ylsulfonylamino)benzamide (CID 4070087) is N-(3-imidazol-1-ylpropyl)-3,5-bis(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-3,5-bis(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-3,5-bis(thiophen-2-ylsulfonylamino)benzamide is O=C(NCCCn1ccnc1)c1cc(NS(=O)(=O)c2cccs2)cc(NS(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-3,5-bis(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is JTBHOLXTLQNFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O5S4/c27-21(23-6-3-8-26-9-7-22-15-26)16-12-17(24-34(28,29)19-4-1-10-32-19)14-18(13-16)25-35(30,31)20-5-2-11-33-20/h1-2,4-5,7,9-15,24-25H,3,6,8H2,(H,23,27).
What are the key properties of N-(3-imidazol-1-ylpropyl)-3,5-bis(thiophen-2-ylsulfonylamino)benzamide?
N-(3-imidazol-1-ylpropyl)-3,5-bis(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 551.70 g/mol, XLogP of 3.43, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-3,5-bis(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 4070087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).