3-amino-N-[2-(3-methylphenyl)ethyl]thiophene-2-carboxamide

C14H16N2OS — CID 62313165

IUPAC3-amino-N-[2-(3-methylphenyl)ethyl]thiophene-2-carboxamide
SMILESCc1cccc(CCNC(=O)c2sccc2N)c1
InChIInChI=1S/C14H16N2OS/c1-10-3-2-4-11(9-10)5-7-16-14(17)13-12(15)6-8-18-13/h2-4,6,8-9H,5,7,15H2,1H3,(H,16,17)
InChIKeyQGKXYICHQSULFT-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.61
Rot. Bonds4

About 3-amino-N-[2-(3-methylphenyl)ethyl]thiophene-2-carboxamide

3-amino-N-[2-(3-methylphenyl)ethyl]thiophene-2-carboxamide (PubChem CID 62313165) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 3-amino-N-[2-(3-methylphenyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(3-methylphenyl)ethyl]thiophene-2-carboxamide
PubChem CID62313165
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name3-amino-N-[2-(3-methylphenyl)ethyl]thiophene-2-carboxamide
SMILESCc1cccc(CCNC(=O)c2sccc2N)c1
InChIInChI=1S/C14H16N2OS/c1-10-3-2-4-11(9-10)5-7-16-14(17)13-12(15)6-8-18-13/h2-4,6,8-9H,5,7,15H2,1H3,(H,16,17)
InChIKeyQGKXYICHQSULFT-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(3-methylphenyl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 62792683
3-amino-N-[2-(3-methylphenyl)ethyl]benzamide
CID 62313883
3-[2-[(3-methylthiophene-2-carbonyl)amino]ethyl]benzoic acid
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3-amino-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 61090030
6-amino-N-[2-(3-methylphenyl)ethyl]pyridine-3-carboxamide
CID 62313054
3-hydroxy-N-[2-(3-methylphenyl)ethyl]benzamide
CID 62313945
3-(chloromethyl)-N-[2-(3-methylphenyl)ethyl]benzamide
CID 62314649
2-bromo-N-[2-(3-methylphenyl)ethyl]benzamide
CID 62315224
3-(2-aminophenyl)-N-[2-(3-methylphenyl)ethyl]propanamide
CID 62314321
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-(3-methylphenyl)acetamide
CID 110717883
(2R)-2-amino-3-methyl-N-[2-(3-methylphenyl)ethyl]butanamide
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CID 62855844

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3-methylphenyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-[2-(3-methylphenyl)ethyl]thiophene-2-carboxamide (CID 62313165) is 3-amino-N-[2-(3-methylphenyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(3-methylphenyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-(3-methylphenyl)ethyl]thiophene-2-carboxamide is Cc1cccc(CCNC(=O)c2sccc2N)c1.
What is the InChIKey of 3-amino-N-[2-(3-methylphenyl)ethyl]thiophene-2-carboxamide?
The InChIKey is QGKXYICHQSULFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-10-3-2-4-11(9-10)5-7-16-14(17)13-12(15)6-8-18-13/h2-4,6,8-9H,5,7,15H2,1H3,(H,16,17).
What are the key properties of 3-amino-N-[2-(3-methylphenyl)ethyl]thiophene-2-carboxamide?
3-amino-N-[2-(3-methylphenyl)ethyl]thiophene-2-carboxamide has a molecular weight of 260.36 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3-methylphenyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 62313165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).