2-amino-N-(2-methoxyethyl)-5-phenylthiophene-3-carboxamide

C14H16N2O2S — CID 53383641

IUPAC2-amino-N-(2-methoxyethyl)-5-phenylthiophene-3-carboxamide
SMILESCOCCNC(=O)c1cc(-c2ccccc2)sc1N
InChIInChI=1S/C14H16N2O2S/c1-18-8-7-16-14(17)11-9-12(19-13(11)15)10-5-3-2-4-6-10/h2-6,9H,7-8,15H2,1H3,(H,16,17)
InChIKeyQOTMPSXFERGPKP-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.37
Rot. Bonds5

About 2-amino-N-(2-methoxyethyl)-5-phenylthiophene-3-carboxamide

2-amino-N-(2-methoxyethyl)-5-phenylthiophene-3-carboxamide (PubChem CID 53383641) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-amino-N-(2-methoxyethyl)-5-phenylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-methoxyethyl)-5-phenylthiophene-3-carboxamide
PubChem CID53383641
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name2-amino-N-(2-methoxyethyl)-5-phenylthiophene-3-carboxamide
SMILESCOCCNC(=O)c1cc(-c2ccccc2)sc1N
InChIInChI=1S/C14H16N2O2S/c1-18-8-7-16-14(17)11-9-12(19-13(11)15)10-5-3-2-4-6-10/h2-6,9H,7-8,15H2,1H3,(H,16,17)
InChIKeyQOTMPSXFERGPKP-UHFFFAOYSA-N
XLogP2.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-phenethyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 830161
1-(3-(Methylcarbamoyl)-5-phenylthiophen-2-yl)urea
CID 9878679
N-(3-Benzoyl-5-methyl-thiophen-2-yl)-2-diethylamino-acetamide
CID 857635
N-(2-hydroxyethyl)-N-methyl-2-[(phenylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1111969
2-(Benzoylamino)-N-isopropyl-4,5-dimethyl-3-thiophenecarboxamide
CID 569946
N-(3-Benzoyl-4,5-dimethyl-thiophen-2-yl)-2-morpholin-4-yl-acetamide
CID 1358927
1-(3-Carbamoyl-5-(4-(((2-hydroxyethyl)(methyl)amino)methyl)phenyl)thiophen-2-yl)urea
CID 44560806
1-(3-((2-Aminoethyl)carbamoyl)-5-phenylthiophen-2-yl)urea
CID 44560912
1-(3-((2-(Dimethylamino)ethyl)carbamoyl)-5-phenylthiophen-2-yl)urea
CID 44560914
(R)-1-(5-phenyl-3-((piperidin-3-ylmethyl)carbamoyl)thiophen-2-yl)urea
CID 44560937
1-(3-((Morpholin-2-ylmethyl)carbamoyl)-5-phenylthiophen-2-yl)urea
CID 44560938
N-(2-aminoethyl)-2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2792206

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methoxyethyl)-5-phenylthiophene-3-carboxamide?
The IUPAC name of 2-amino-N-(2-methoxyethyl)-5-phenylthiophene-3-carboxamide (CID 53383641) is 2-amino-N-(2-methoxyethyl)-5-phenylthiophene-3-carboxamide.
What is the SMILES notation for 2-amino-N-(2-methoxyethyl)-5-phenylthiophene-3-carboxamide?
The canonical SMILES for 2-amino-N-(2-methoxyethyl)-5-phenylthiophene-3-carboxamide is COCCNC(=O)c1cc(-c2ccccc2)sc1N.
What is the InChIKey of 2-amino-N-(2-methoxyethyl)-5-phenylthiophene-3-carboxamide?
The InChIKey is QOTMPSXFERGPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-18-8-7-16-14(17)11-9-12(19-13(11)15)10-5-3-2-4-6-10/h2-6,9H,7-8,15H2,1H3,(H,16,17).
What are the key properties of 2-amino-N-(2-methoxyethyl)-5-phenylthiophene-3-carboxamide?
2-amino-N-(2-methoxyethyl)-5-phenylthiophene-3-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methoxyethyl)-5-phenylthiophene-3-carboxamide is sourced from PubChem (CID 53383641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).