N-(2-amino-2-phenylethyl)-3-methylthiophene-2-carboxamide

C14H16N2OS — CID 63120577

IUPACN-(2-amino-2-phenylethyl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCC(N)c1ccccc1
InChIInChI=1S/C14H16N2OS/c1-10-7-8-18-13(10)14(17)16-9-12(15)11-5-3-2-4-6-11/h2-8,12H,9,15H2,1H3,(H,16,17)
InChIKeyDQZQNUDQLUXWRC-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.49
Rot. Bonds4

About N-(2-amino-2-phenylethyl)-3-methylthiophene-2-carboxamide

N-(2-amino-2-phenylethyl)-3-methylthiophene-2-carboxamide (PubChem CID 63120577) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-3-methylthiophene-2-carboxamide
PubChem CID63120577
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC NameN-(2-amino-2-phenylethyl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCC(N)c1ccccc1
InChIInChI=1S/C14H16N2OS/c1-10-7-8-18-13(10)14(17)16-9-12(15)11-5-3-2-4-6-11/h2-8,12H,9,15H2,1H3,(H,16,17)
InChIKeyDQZQNUDQLUXWRC-UHFFFAOYSA-N
XLogP2.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-bromo-3-[(3-methylthiophene-2-carbonyl)amino]propanoate
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N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-methylthiophene-2-carboxamide
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(2-amino-2-phenylethyl)carbamic acid
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3-methyl-N-phenacylthiophene-2-carboxamide
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N-(2-amino-2-phenylethyl)-3-methylpyridine-2-carboxamide
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N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-ethylthiophene-2-carboxamide;hydrochloride
CID 119527260
N-(3-amino-3-phenylpropyl)-3-ethylthiophene-2-carboxamide
CID 80506631
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-methylthiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-3-methylthiophene-2-carboxamide?
The IUPAC name of N-(2-amino-2-phenylethyl)-3-methylthiophene-2-carboxamide (CID 63120577) is N-(2-amino-2-phenylethyl)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)NCC(N)c1ccccc1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-3-methylthiophene-2-carboxamide?
The InChIKey is DQZQNUDQLUXWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-10-7-8-18-13(10)14(17)16-9-12(15)11-5-3-2-4-6-11/h2-8,12H,9,15H2,1H3,(H,16,17).
What are the key properties of N-(2-amino-2-phenylethyl)-3-methylthiophene-2-carboxamide?
N-(2-amino-2-phenylethyl)-3-methylthiophene-2-carboxamide has a molecular weight of 260.36 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 63120577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).