N-butan-2-yl-3-[[[2-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]acetyl]amino]methyl]benzamide

C23H26N4O3S2 — CID 55798429

IUPACN-butan-2-yl-3-[[[2-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]acetyl]amino]methyl]benzamide
SMILESCCC(C)NC(=O)c1cccc(CNC(=O)Cc2csc(NC(=O)Cc3cccs3)n2)c1
InChIInChI=1S/C23H26N4O3S2/c1-3-15(2)25-22(30)17-7-4-6-16(10-17)13-24-20(28)11-18-14-32-23(26-18)27-21(29)12-19-8-5-9-31-19/h4-10,14-15H,3,11-13H2,1-2H3,(H,24,28)(H,25,30)(H,26,27,29)
InChIKeyDSFJIGVCBDYEMK-UHFFFAOYSA-N
MW470.62 g/mol
LogP3.77
Rot. Bonds10

About N-butan-2-yl-3-[[[2-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]acetyl]amino]methyl]benzamide

N-butan-2-yl-3-[[[2-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]acetyl]amino]methyl]benzamide (PubChem CID 55798429) has the molecular formula C23H26N4O3S2 and a molecular weight of 470.62 g/mol. Its IUPAC name is N-butan-2-yl-3-[[[2-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]acetyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[[[2-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]acetyl]amino]methyl]benzamide
PubChem CID55798429
Molecular FormulaC23H26N4O3S2
Molecular Weight470.62 g/mol
Exact Mass470.14
IUPAC NameN-butan-2-yl-3-[[[2-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]acetyl]amino]methyl]benzamide
SMILESCCC(C)NC(=O)c1cccc(CNC(=O)Cc2csc(NC(=O)Cc3cccs3)n2)c1
InChIInChI=1S/C23H26N4O3S2/c1-3-15(2)25-22(30)17-7-4-6-16(10-17)13-24-20(28)11-18-14-32-23(26-18)27-21(29)12-19-8-5-9-31-19/h4-10,14-15H,3,11-13H2,1-2H3,(H,24,28)(H,25,30)(H,26,27,29)
InChIKeyDSFJIGVCBDYEMK-UHFFFAOYSA-N
XLogP3.77
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.62
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_E(2)', 'substructure': 'N/A'}

Analyze N-butan-2-yl-3-[[[2-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]acetyl]amino]methyl]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-[4-[2-oxo-2-[(4-phenylmethoxyphenyl)methylamino]ethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 55651041
N-butan-2-yl-3-[[[N'-methyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111348923
N-[4-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 38294108
3-[(3-aminopropanoylamino)methyl]-N-butan-2-ylbenzamide
CID 119287321
N-[(2R)-butan-2-yl]-3-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]benzamide
CID 97230259
methyl N-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]carbamate
CID 16883763
N-butan-2-yl-3-[[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]methyl]benzamide
CID 86996215
N-[4-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]ethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 55843339
N-[4-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 38743043
N-[4-[2-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 55876889
N-[4-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 38709121
N-[(2S)-butan-2-yl]-3-[[[(2S)-2-methylbutanoyl]amino]methyl]benzamide
CID 94180645

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[[[2-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]acetyl]amino]methyl]benzamide?
The IUPAC name of N-butan-2-yl-3-[[[2-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]acetyl]amino]methyl]benzamide (CID 55798429) is N-butan-2-yl-3-[[[2-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]acetyl]amino]methyl]benzamide.
What is the SMILES notation for N-butan-2-yl-3-[[[2-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]acetyl]amino]methyl]benzamide?
The canonical SMILES for N-butan-2-yl-3-[[[2-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]acetyl]amino]methyl]benzamide is CCC(C)NC(=O)c1cccc(CNC(=O)Cc2csc(NC(=O)Cc3cccs3)n2)c1.
What is the InChIKey of N-butan-2-yl-3-[[[2-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]acetyl]amino]methyl]benzamide?
The InChIKey is DSFJIGVCBDYEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S2/c1-3-15(2)25-22(30)17-7-4-6-16(10-17)13-24-20(28)11-18-14-32-23(26-18)27-21(29)12-19-8-5-9-31-19/h4-10,14-15H,3,11-13H2,1-2H3,(H,24,28)(H,25,30)(H,26,27,29).
What are the key properties of N-butan-2-yl-3-[[[2-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]acetyl]amino]methyl]benzamide?
N-butan-2-yl-3-[[[2-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]acetyl]amino]methyl]benzamide has a molecular weight of 470.62 g/mol, XLogP of 3.77, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[[[2-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]acetyl]amino]methyl]benzamide is sourced from PubChem (CID 55798429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).