2-[4-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]phenyl]-N-propan-2-ylacetamide

C19H25N3O2S — CID 55626387

IUPAC2-[4-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]phenyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cc1ccc(NCC(=O)NCCc2cccs2)cc1
InChIInChI=1S/C19H25N3O2S/c1-14(2)22-18(23)12-15-5-7-16(8-6-15)21-13-19(24)20-10-9-17-4-3-11-25-17/h3-8,11,14,21H,9-10,12-13H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyVUSQMJHVNXVRKF-UHFFFAOYSA-N
MW359.50 g/mol
LogP2.59
Rot. Bonds9

About 2-[4-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]phenyl]-N-propan-2-ylacetamide

2-[4-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]phenyl]-N-propan-2-ylacetamide (PubChem CID 55626387) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 2-[4-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]phenyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]phenyl]-N-propan-2-ylacetamide
PubChem CID55626387
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name2-[4-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]phenyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cc1ccc(NCC(=O)NCCc2cccs2)cc1
InChIInChI=1S/C19H25N3O2S/c1-14(2)22-18(23)12-15-5-7-16(8-6-15)21-13-19(24)20-10-9-17-4-3-11-25-17/h3-8,11,14,21H,9-10,12-13H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyVUSQMJHVNXVRKF-UHFFFAOYSA-N
XLogP2.59
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]phenyl]-N-propan-2-ylacetamide with MolForge

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Related Compounds

methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]azanium
CID 8913853
2-(4-acetylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 78807187
3-[[N'-methyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]-N-propan-2-ylpropanamide
CID 111348848
2-[4-[(5-chloro-2-pyridinyl)oxy]anilino]-N-(2-thiophen-2-ylethyl)acetamide
CID 100625400
N-methyl-2-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]acetamide
CID 8772566
2-[4-[acetyl(methyl)amino]phenyl]-N-(2-thiophen-2-ylethyl)acetamide
CID 110674862
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate
CID 7735138
2-(4-ethylanilino)-N-propan-2-ylacetamide
CID 28583181
2-hydroxy-N-(2-thiophen-2-ylethyl)acetamide
CID 13454159
3-[(2-anilinoacetyl)amino]-N-propan-2-ylpropanamide
CID 112701585
2-(3-chloro-2-methylanilino)-N-(2-thiophen-2-ylethyl)acetamide
CID 31666457
N-[3-(4-propan-2-yloxyphenyl)propyl]-2-thiophen-2-ylacetamide
CID 100672361

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]phenyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]phenyl]-N-propan-2-ylacetamide (CID 55626387) is 2-[4-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]phenyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]phenyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]phenyl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cc1ccc(NCC(=O)NCCc2cccs2)cc1.
What is the InChIKey of 2-[4-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]phenyl]-N-propan-2-ylacetamide?
The InChIKey is VUSQMJHVNXVRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-14(2)22-18(23)12-15-5-7-16(8-6-15)21-13-19(24)20-10-9-17-4-3-11-25-17/h3-8,11,14,21H,9-10,12-13H2,1-2H3,(H,20,24)(H,22,23).
What are the key properties of 2-[4-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]phenyl]-N-propan-2-ylacetamide?
2-[4-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]phenyl]-N-propan-2-ylacetamide has a molecular weight of 359.50 g/mol, XLogP of 2.59, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]phenyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 55626387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).