N-[6-oxo-6-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]hexyl]benzamide

C20H21N3O2S2 — CID 108742103

IUPACN-[6-oxo-6-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]hexyl]benzamide
SMILESO=C(CCCCCNC(=O)c1ccccc1)Nc1nc(-c2cccs2)cs1
InChIInChI=1S/C20H21N3O2S2/c24-18(23-20-22-16(14-27-20)17-10-7-13-26-17)11-5-2-6-12-21-19(25)15-8-3-1-4-9-15/h1,3-4,7-10,13-14H,2,5-6,11-12H2,(H,21,25)(H,22,23,24)
InChIKeyDGLAAVFOYRBQRM-UHFFFAOYSA-N
MW399.54 g/mol
LogP4.80
Rot. Bonds9

About N-[6-oxo-6-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]hexyl]benzamide

N-[6-oxo-6-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]hexyl]benzamide (PubChem CID 108742103) has the molecular formula C20H21N3O2S2 and a molecular weight of 399.54 g/mol. Its IUPAC name is N-[6-oxo-6-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]hexyl]benzamide.

Molecular Properties

Compound NameN-[6-oxo-6-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]hexyl]benzamide
PubChem CID108742103
Molecular FormulaC20H21N3O2S2
Molecular Weight399.54 g/mol
Exact Mass399.11
IUPAC NameN-[6-oxo-6-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]hexyl]benzamide
SMILESO=C(CCCCCNC(=O)c1ccccc1)Nc1nc(-c2cccs2)cs1
InChIInChI=1S/C20H21N3O2S2/c24-18(23-20-22-16(14-27-20)17-10-7-13-26-17)11-5-2-6-12-21-19(25)15-8-3-1-4-9-15/h1,3-4,7-10,13-14H,2,5-6,11-12H2,(H,21,25)(H,22,23,24)
InChIKeyDGLAAVFOYRBQRM-UHFFFAOYSA-N
XLogP4.80
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 54.80
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

N-[6-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-6-oxohexyl]benzamide
CID 108739753
4-(2-fluorophenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanamide
CID 55928851
3-(benzenesulfonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 7189641
3,3-diphenyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 4171293
4-amino-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pentanamide
CID 120558829
2-(2-fluorophenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 2080859
4-(4-fluorophenyl)-4-oxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanamide
CID 108742129
4-(4-methylphenyl)sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanamide
CID 41086076
N-[3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 43000018
3-methyl-N,N'-bis(4-thiophen-2-yl-1,3-thiazol-2-yl)hexanediamide
CID 112830370
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 16592789
3-(2,5-dioxopyrrolidin-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 36668177

Frequently Asked Questions

What is the IUPAC name of N-[6-oxo-6-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]hexyl]benzamide?
The IUPAC name of N-[6-oxo-6-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]hexyl]benzamide (CID 108742103) is N-[6-oxo-6-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]hexyl]benzamide.
What is the SMILES notation for N-[6-oxo-6-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]hexyl]benzamide?
The canonical SMILES for N-[6-oxo-6-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]hexyl]benzamide is O=C(CCCCCNC(=O)c1ccccc1)Nc1nc(-c2cccs2)cs1.
What is the InChIKey of N-[6-oxo-6-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]hexyl]benzamide?
The InChIKey is DGLAAVFOYRBQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S2/c24-18(23-20-22-16(14-27-20)17-10-7-13-26-17)11-5-2-6-12-21-19(25)15-8-3-1-4-9-15/h1,3-4,7-10,13-14H,2,5-6,11-12H2,(H,21,25)(H,22,23,24).
What are the key properties of N-[6-oxo-6-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]hexyl]benzamide?
N-[6-oxo-6-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]hexyl]benzamide has a molecular weight of 399.54 g/mol, XLogP of 4.80, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-oxo-6-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]hexyl]benzamide is sourced from PubChem (CID 108742103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).