N-(2-acetamidoethyl)-3-aminothiophene-2-carboxamide

C9H13N3O2S — CID 61092677

IUPACN-(2-acetamidoethyl)-3-aminothiophene-2-carboxamide
SMILESCC(=O)NCCNC(=O)c1sccc1N
InChIInChI=1S/C9H13N3O2S/c1-6(13)11-3-4-12-9(14)8-7(10)2-5-15-8/h2,5H,3-4,10H2,1H3,(H,11,13)(H,12,14)
InChIKeyFGHDTSAQMJKSJL-UHFFFAOYSA-N
MW227.29 g/mol
LogP0.20
Rot. Bonds4

About N-(2-acetamidoethyl)-3-aminothiophene-2-carboxamide

N-(2-acetamidoethyl)-3-aminothiophene-2-carboxamide (PubChem CID 61092677) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-3-aminothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-3-aminothiophene-2-carboxamide
PubChem CID61092677
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC NameN-(2-acetamidoethyl)-3-aminothiophene-2-carboxamide
SMILESCC(=O)NCCNC(=O)c1sccc1N
InChIInChI=1S/C9H13N3O2S/c1-6(13)11-3-4-12-9(14)8-7(10)2-5-15-8/h2,5H,3-4,10H2,1H3,(H,11,13)(H,12,14)
InChIKeyFGHDTSAQMJKSJL-UHFFFAOYSA-N
XLogP0.20
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 61090030
3-amino-N-(5-methylhexyl)thiophene-2-carboxamide
CID 115324411
3-amino-N-[3-(tert-butylamino)-3-oxopropyl]thiophene-2-carboxamide
CID 113409472
3-amino-N-(3-butoxypropyl)thiophene-2-carboxamide
CID 113480998
methyl 3-[(3-aminothiophene-2-carbonyl)amino]-2-hydroxypropanoate
CID 107211618
3-amino-N-(2,3,3-trimethylbutyl)thiophene-2-carboxamide
CID 83142073
3-amino-N-[2-(3-methylphenyl)ethyl]thiophene-2-carboxamide
CID 62313165
3-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]thiophene-2-carboxamide
CID 106308533
3-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide
CID 61282056
3-amino-N-(2-methyl-2-phenylpropyl)thiophene-2-carboxamide
CID 61139791
3-amino-N-[(4-ethylcyclohexyl)methyl]thiophene-2-carboxamide
CID 61118488
N-(2-acetamidoethyl)-2-amino-1,3-thiazole-4-carboxamide
CID 62788552

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-3-aminothiophene-2-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-3-aminothiophene-2-carboxamide (CID 61092677) is N-(2-acetamidoethyl)-3-aminothiophene-2-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-3-aminothiophene-2-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-3-aminothiophene-2-carboxamide is CC(=O)NCCNC(=O)c1sccc1N.
What is the InChIKey of N-(2-acetamidoethyl)-3-aminothiophene-2-carboxamide?
The InChIKey is FGHDTSAQMJKSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-6(13)11-3-4-12-9(14)8-7(10)2-5-15-8/h2,5H,3-4,10H2,1H3,(H,11,13)(H,12,14).
What are the key properties of N-(2-acetamidoethyl)-3-aminothiophene-2-carboxamide?
N-(2-acetamidoethyl)-3-aminothiophene-2-carboxamide has a molecular weight of 227.29 g/mol, XLogP of 0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-3-aminothiophene-2-carboxamide is sourced from PubChem (CID 61092677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).