2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide

C14H23N3O2S — CID 27095198

IUPAC2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(CC(=O)NCc1cccs1)CC(=O)NC(C)C
InChIInChI=1S/C14H23N3O2S/c1-4-17(10-14(19)16-11(2)3)9-13(18)15-8-12-6-5-7-20-12/h5-7,11H,4,8-10H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyPWDRSLGXGXVFJF-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.21
Rot. Bonds8

About 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide

2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 27095198) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID27095198
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(CC(=O)NCc1cccs1)CC(=O)NC(C)C
InChIInChI=1S/C14H23N3O2S/c1-4-17(10-14(19)16-11(2)3)9-13(18)15-8-12-6-5-7-20-12/h5-7,11H,4,8-10H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyPWDRSLGXGXVFJF-UHFFFAOYSA-N
XLogP1.21
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-[2-oxo-2-[1-(4-phenylphenyl)ethylamino]ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 17498277
2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 111487300
2-[ethyl-[2-(3-methylanilino)-2-oxoethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 8905918
2-[ethyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 8906157
N-(1,3-benzodioxol-5-ylmethyl)-2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]acetamide
CID 8906099
2-[methyl(1-thiophen-2-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 51271574
2-[(2-cyanophenyl)methyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 8792545
2-[ethyl-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 24565711
2-[[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 8905810
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]thiophene-2-carboxamide
CID 60643349
3-[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-propan-2-ylamino]propanoic acid
CID 60832973
N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2,2-diphenylacetamide
CID 4782981

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide (CID 27095198) is 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide is CCN(CC(=O)NCc1cccs1)CC(=O)NC(C)C.
What is the InChIKey of 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is PWDRSLGXGXVFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-4-17(10-14(19)16-11(2)3)9-13(18)15-8-12-6-5-7-20-12/h5-7,11H,4,8-10H2,1-3H3,(H,15,18)(H,16,19).
What are the key properties of 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 297.42 g/mol, XLogP of 1.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 27095198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).