2-N-(2-aminoethyl)-2-N-(2-phenylethyl)thiophene-2,5-dicarboxamide

C16H19N3O2S — CID 120886240

IUPAC2-N-(2-aminoethyl)-2-N-(2-phenylethyl)thiophene-2,5-dicarboxamide
SMILESNCCN(CCc1ccccc1)C(=O)c1ccc(C(N)=O)s1
InChIInChI=1S/C16H19N3O2S/c17-9-11-19(10-8-12-4-2-1-3-5-12)16(21)14-7-6-13(22-14)15(18)20/h1-7H,8-11,17H2,(H2,18,20)
InChIKeyXFKDEHWJVFIXJT-UHFFFAOYSA-N
MW317.41 g/mol
LogP1.49
Rot. Bonds7

About 2-N-(2-aminoethyl)-2-N-(2-phenylethyl)thiophene-2,5-dicarboxamide

2-N-(2-aminoethyl)-2-N-(2-phenylethyl)thiophene-2,5-dicarboxamide (PubChem CID 120886240) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 2-N-(2-aminoethyl)-2-N-(2-phenylethyl)thiophene-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N-(2-aminoethyl)-2-N-(2-phenylethyl)thiophene-2,5-dicarboxamide
PubChem CID120886240
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name2-N-(2-aminoethyl)-2-N-(2-phenylethyl)thiophene-2,5-dicarboxamide
SMILESNCCN(CCc1ccccc1)C(=O)c1ccc(C(N)=O)s1
InChIInChI=1S/C16H19N3O2S/c17-9-11-19(10-8-12-4-2-1-3-5-12)16(21)14-7-6-13(22-14)15(18)20/h1-7H,8-11,17H2,(H2,18,20)
InChIKeyXFKDEHWJVFIXJT-UHFFFAOYSA-N
XLogP1.49
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-5-chloro-N-(2-phenylethyl)thiophene-2-carboxamide
CID 120885512
N-(2-aminoethyl)-4-bromo-N-(2-phenylethyl)thiophene-2-carboxamide
CID 120886632
N-(2-aminoethyl)-4-ethyl-5-methyl-N-(2-phenylethyl)thiophene-2-carboxamide
CID 120884574
N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884412
N-(2-aminoethyl)-N-(2-phenylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 120885128
N-(2-aminoethyl)-5-[2-(methanesulfonamido)ethyl]-N-(2-phenylethyl)thiophene-2-carboxamide;hydrochloride
CID 120886799
4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120885633
2-N-(2-aminoethyl)-1-methyl-2-N-(2-phenylethyl)pyrrole-2,4-dicarboxamide
CID 120886586
N-(2-aminoethyl)-2-(5-methylthiophen-2-yl)-N-(2-phenylethyl)acetamide
CID 120884702
N-(2-aminoethyl)-2-benzyl-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
CID 120884822
4-N-(2-aminoethyl)-1-N-ethyl-4-N-(2-phenylethyl)-1-N-propylbenzene-1,4-dicarboxamide
CID 120884506
N-(2-aminoethyl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 120885554

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-aminoethyl)-2-N-(2-phenylethyl)thiophene-2,5-dicarboxamide?
The IUPAC name of 2-N-(2-aminoethyl)-2-N-(2-phenylethyl)thiophene-2,5-dicarboxamide (CID 120886240) is 2-N-(2-aminoethyl)-2-N-(2-phenylethyl)thiophene-2,5-dicarboxamide.
What is the SMILES notation for 2-N-(2-aminoethyl)-2-N-(2-phenylethyl)thiophene-2,5-dicarboxamide?
The canonical SMILES for 2-N-(2-aminoethyl)-2-N-(2-phenylethyl)thiophene-2,5-dicarboxamide is NCCN(CCc1ccccc1)C(=O)c1ccc(C(N)=O)s1.
What is the InChIKey of 2-N-(2-aminoethyl)-2-N-(2-phenylethyl)thiophene-2,5-dicarboxamide?
The InChIKey is XFKDEHWJVFIXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c17-9-11-19(10-8-12-4-2-1-3-5-12)16(21)14-7-6-13(22-14)15(18)20/h1-7H,8-11,17H2,(H2,18,20).
What are the key properties of 2-N-(2-aminoethyl)-2-N-(2-phenylethyl)thiophene-2,5-dicarboxamide?
2-N-(2-aminoethyl)-2-N-(2-phenylethyl)thiophene-2,5-dicarboxamide has a molecular weight of 317.41 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-aminoethyl)-2-N-(2-phenylethyl)thiophene-2,5-dicarboxamide is sourced from PubChem (CID 120886240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).