2-[[2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]acetyl]amino]-N-phenylbenzamide

C24H27N3O2S — CID 55859880

IUPAC2-[[2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]acetyl]amino]-N-phenylbenzamide
SMILESCC(C)(C)C(NCC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1cccs1
InChIInChI=1S/C24H27N3O2S/c1-24(2,3)22(20-14-9-15-30-20)25-16-21(28)27-19-13-8-7-12-18(19)23(29)26-17-10-5-4-6-11-17/h4-15,22,25H,16H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyJOPHJYHVIIKKJK-UHFFFAOYSA-N
MW421.57 g/mol
LogP5.32
Rot. Bonds7

About 2-[[2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]acetyl]amino]-N-phenylbenzamide

2-[[2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]acetyl]amino]-N-phenylbenzamide (PubChem CID 55859880) has the molecular formula C24H27N3O2S and a molecular weight of 421.57 g/mol. Its IUPAC name is 2-[[2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]acetyl]amino]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[[2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]acetyl]amino]-N-phenylbenzamide
PubChem CID55859880
Molecular FormulaC24H27N3O2S
Molecular Weight421.57 g/mol
Exact Mass421.18
IUPAC Name2-[[2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]acetyl]amino]-N-phenylbenzamide
SMILESCC(C)(C)C(NCC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1cccs1
InChIInChI=1S/C24H27N3O2S/c1-24(2,3)22(20-14-9-15-30-20)25-16-21(28)27-19-13-8-7-12-18(19)23(29)26-17-10-5-4-6-11-17/h4-15,22,25H,16H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyJOPHJYHVIIKKJK-UHFFFAOYSA-N
XLogP5.32
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.57
LogP ≤ 55.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]acetyl]amino]-N-phenylbenzamide 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-phenyl-2-[[2-(1-thiophen-2-ylethylamino)acetyl]amino]benzamide
CID 17454524
methyl 3-[[2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]acetyl]amino]-4-methylbenzoate
CID 55995427
N-(2-phenylethyl)-2-[[2-(1-thiophen-2-ylethylamino)acetyl]amino]benzamide
CID 17453541
2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]-N-methyl-N-phenylacetamide
CID 60524516
N-cyclopropyl-2-[[2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetyl]amino]benzamide
CID 41103017
N-(3-chloro-4-methoxyphenyl)-2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]acetamide
CID 60524145
2-(butanoylamino)-N-phenylbenzamide
CID 676008
ethyl 2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]acetate
CID 12735876
2-[[2-(5-chloro-2-methylanilino)acetyl]amino]-N-phenylbenzamide
CID 16553153
2-[[2-(3-fluoro-4-methylanilino)acetyl]amino]-N-phenylbenzamide
CID 26438041
2-[[2-oxo-2-(2-phenylanilino)ethyl]amino]-N-phenylbenzamide
CID 9106026
N-cyclopropyl-2-[[2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetyl]amino]benzamide
CID 40919469

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]acetyl]amino]-N-phenylbenzamide?
The IUPAC name of 2-[[2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]acetyl]amino]-N-phenylbenzamide (CID 55859880) is 2-[[2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]acetyl]amino]-N-phenylbenzamide.
What is the SMILES notation for 2-[[2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]acetyl]amino]-N-phenylbenzamide?
The canonical SMILES for 2-[[2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]acetyl]amino]-N-phenylbenzamide is CC(C)(C)C(NCC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1cccs1.
What is the InChIKey of 2-[[2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]acetyl]amino]-N-phenylbenzamide?
The InChIKey is JOPHJYHVIIKKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2S/c1-24(2,3)22(20-14-9-15-30-20)25-16-21(28)27-19-13-8-7-12-18(19)23(29)26-17-10-5-4-6-11-17/h4-15,22,25H,16H2,1-3H3,(H,26,29)(H,27,28).
What are the key properties of 2-[[2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]acetyl]amino]-N-phenylbenzamide?
2-[[2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]acetyl]amino]-N-phenylbenzamide has a molecular weight of 421.57 g/mol, XLogP of 5.32, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]acetyl]amino]-N-phenylbenzamide is sourced from PubChem (CID 55859880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).