2-[ethyl-[2-oxo-2-[1-(4-phenylphenyl)ethylamino]ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide

C25H29N3O2S — CID 17498277

IUPAC2-[ethyl-[2-oxo-2-[1-(4-phenylphenyl)ethylamino]ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(CC(=O)NCc1cccs1)CC(=O)NC(C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H29N3O2S/c1-3-28(17-24(29)26-16-23-10-7-15-31-23)18-25(30)27-19(2)20-11-13-22(14-12-20)21-8-5-4-6-9-21/h4-15,19H,3,16-18H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyAMUKXEATBSNQAW-UHFFFAOYSA-N
MW435.59 g/mol
LogP4.23
Rot. Bonds10

About 2-[ethyl-[2-oxo-2-[1-(4-phenylphenyl)ethylamino]ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide

2-[ethyl-[2-oxo-2-[1-(4-phenylphenyl)ethylamino]ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 17498277) has the molecular formula C25H29N3O2S and a molecular weight of 435.59 g/mol. Its IUPAC name is 2-[ethyl-[2-oxo-2-[1-(4-phenylphenyl)ethylamino]ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[ethyl-[2-oxo-2-[1-(4-phenylphenyl)ethylamino]ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID17498277
Molecular FormulaC25H29N3O2S
Molecular Weight435.59 g/mol
Exact Mass435.20
IUPAC Name2-[ethyl-[2-oxo-2-[1-(4-phenylphenyl)ethylamino]ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(CC(=O)NCc1cccs1)CC(=O)NC(C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H29N3O2S/c1-3-28(17-24(29)26-16-23-10-7-15-31-23)18-25(30)27-19(2)20-11-13-22(14-12-20)21-8-5-4-6-9-21/h4-15,19H,3,16-18H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyAMUKXEATBSNQAW-UHFFFAOYSA-N
XLogP4.23
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.59
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 27095198
1-[(1R)-1-(4-phenylphenyl)ethyl]-3-(thiophen-2-ylmethyl)thiourea
CID 9111467
N-[1-(4-bromophenyl)ethyl]-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 55381742
2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 111487300
2-[ethyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]acetic acid
CID 61012431
N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2,2-diphenylacetamide
CID 4782981
3-[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-propan-2-ylamino]propanoic acid
CID 60832973
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
2-[(2-cyanophenyl)methyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 8792545
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

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-oxo-2-[1-(4-phenylphenyl)ethylamino]ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[ethyl-[2-oxo-2-[1-(4-phenylphenyl)ethylamino]ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide (CID 17498277) is 2-[ethyl-[2-oxo-2-[1-(4-phenylphenyl)ethylamino]ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[ethyl-[2-oxo-2-[1-(4-phenylphenyl)ethylamino]ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[ethyl-[2-oxo-2-[1-(4-phenylphenyl)ethylamino]ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide is CCN(CC(=O)NCc1cccs1)CC(=O)NC(C)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-[ethyl-[2-oxo-2-[1-(4-phenylphenyl)ethylamino]ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is AMUKXEATBSNQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2S/c1-3-28(17-24(29)26-16-23-10-7-15-31-23)18-25(30)27-19(2)20-11-13-22(14-12-20)21-8-5-4-6-9-21/h4-15,19H,3,16-18H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of 2-[ethyl-[2-oxo-2-[1-(4-phenylphenyl)ethylamino]ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
2-[ethyl-[2-oxo-2-[1-(4-phenylphenyl)ethylamino]ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 435.59 g/mol, XLogP of 4.23, 10 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-[1-(4-phenylphenyl)ethylamino]ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 17498277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).