2-[[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide

C20H26N4O3S — CID 8905810

IUPAC2-[[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(CC(=O)NCc1cccs1)CC(=O)NC(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C20H26N4O3S/c1-4-24(12-18(25)21-11-16-6-5-9-28-16)13-19(26)23-20(27)22-17-8-7-14(2)10-15(17)3/h5-10H,4,11-13H2,1-3H3,(H,21,25)(H2,22,23,26,27)
InChIKeyDJXLLVAKIJWJCL-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.65
Rot. Bonds8

About 2-[[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide

2-[[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 8905810) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is 2-[[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID8905810
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC Name2-[[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(CC(=O)NCc1cccs1)CC(=O)NC(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C20H26N4O3S/c1-4-24(12-18(25)21-11-16-6-5-9-28-16)13-19(26)23-20(27)22-17-8-7-14(2)10-15(17)3/h5-10H,4,11-13H2,1-3H3,(H,21,25)(H2,22,23,26,27)
InChIKeyDJXLLVAKIJWJCL-UHFFFAOYSA-N
XLogP2.65
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethyl-[2-(3-methylanilino)-2-oxoethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 8905918
N-[(2,4-dimethylphenyl)carbamoyl]-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055555
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 27095198
2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 111487300
2-(diethylamino)-N-(2,4-dimethylphenyl)acetamide
CID 28447
2-(dipropylamino)-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 34600944
N-(thiophen-2-ylmethyl)-2-(N,2,5-trimethylanilino)acetamide
CID 47294418
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-[(2-cyanophenyl)methyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 8792545
N-(2,6-dimethylphenyl)-2-[[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-methylamino]acetamide
CID 9221914
N-[(2,4-dimethylphenyl)carbamoyl]-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 47772151

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide (CID 8905810) is 2-[[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide is CCN(CC(=O)NCc1cccs1)CC(=O)NC(=O)Nc1ccc(C)cc1C.
What is the InChIKey of 2-[[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is DJXLLVAKIJWJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-4-24(12-18(25)21-11-16-6-5-9-28-16)13-19(26)23-20(27)22-17-8-7-14(2)10-15(17)3/h5-10H,4,11-13H2,1-3H3,(H,21,25)(H2,22,23,26,27).
What are the key properties of 2-[[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide?
2-[[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 402.52 g/mol, XLogP of 2.65, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 8905810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).