N-ethyl-2-[ethyl-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methyl]amino]acetamide

C13H22N4O2S — CID 80733732

IUPACN-ethyl-2-[ethyl-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methyl]amino]acetamide
SMILESCCNC(=O)CN(CC)Cc1cc(C(=O)NN)sc1C
InChIInChI=1S/C13H22N4O2S/c1-4-15-12(18)8-17(5-2)7-10-6-11(13(19)16-14)20-9(10)3/h6H,4-5,7-8,14H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyBTWJRAJZOLTNKM-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.62
Rot. Bonds7

About N-ethyl-2-[ethyl-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methyl]amino]acetamide

N-ethyl-2-[ethyl-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methyl]amino]acetamide (PubChem CID 80733732) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-ethyl-2-[ethyl-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methyl]amino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[ethyl-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methyl]amino]acetamide
PubChem CID80733732
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC NameN-ethyl-2-[ethyl-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methyl]amino]acetamide
SMILESCCNC(=O)CN(CC)Cc1cc(C(=O)NN)sc1C
InChIInChI=1S/C13H22N4O2S/c1-4-15-12(18)8-17(5-2)7-10-6-11(13(19)16-14)20-9(10)3/h6H,4-5,7-8,14H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyBTWJRAJZOLTNKM-UHFFFAOYSA-N
XLogP0.62
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[ethyl-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methyl]amino]acetamide?
The IUPAC name of N-ethyl-2-[ethyl-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methyl]amino]acetamide (CID 80733732) is N-ethyl-2-[ethyl-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methyl]amino]acetamide.
What is the SMILES notation for N-ethyl-2-[ethyl-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methyl]amino]acetamide?
The canonical SMILES for N-ethyl-2-[ethyl-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methyl]amino]acetamide is CCNC(=O)CN(CC)Cc1cc(C(=O)NN)sc1C.
What is the InChIKey of N-ethyl-2-[ethyl-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methyl]amino]acetamide?
The InChIKey is BTWJRAJZOLTNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-4-15-12(18)8-17(5-2)7-10-6-11(13(19)16-14)20-9(10)3/h6H,4-5,7-8,14H2,1-3H3,(H,15,18)(H,16,19).
What are the key properties of N-ethyl-2-[ethyl-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methyl]amino]acetamide?
N-ethyl-2-[ethyl-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methyl]amino]acetamide has a molecular weight of 298.41 g/mol, XLogP of 0.62, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[ethyl-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methyl]amino]acetamide is sourced from PubChem (CID 80733732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).