N-[[4-(2-aminoethyl)phenyl]methyl]-5-methylthiophene-2-carboxamide

C15H18N2OS — CID 62502316

IUPACN-[[4-(2-aminoethyl)phenyl]methyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCc2ccc(CCN)cc2)s1
InChIInChI=1S/C15H18N2OS/c1-11-2-7-14(19-11)15(18)17-10-13-5-3-12(4-6-13)8-9-16/h2-7H,8-10,16H2,1H3,(H,17,18)
InChIKeyDPXUTLFYALNTNB-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.49
Rot. Bonds5

About N-[[4-(2-aminoethyl)phenyl]methyl]-5-methylthiophene-2-carboxamide

N-[[4-(2-aminoethyl)phenyl]methyl]-5-methylthiophene-2-carboxamide (PubChem CID 62502316) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is N-[[4-(2-aminoethyl)phenyl]methyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-aminoethyl)phenyl]methyl]-5-methylthiophene-2-carboxamide
PubChem CID62502316
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC NameN-[[4-(2-aminoethyl)phenyl]methyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCc2ccc(CCN)cc2)s1
InChIInChI=1S/C15H18N2OS/c1-11-2-7-14(19-11)15(18)17-10-13-5-3-12(4-6-13)8-9-16/h2-7H,8-10,16H2,1H3,(H,17,18)
InChIKeyDPXUTLFYALNTNB-UHFFFAOYSA-N
XLogP2.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 7959658
5-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide
CID 43043492
N-[(3-hydroxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 47292096
N-(2-fluoroethyl)-5-methylthiophene-2-carboxamide
CID 130710625
N-[[4-(2-aminoethyl)phenyl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 115736977
N-[(3-carbamothioylphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 62311231
N-[(4-aminophenyl)methyl]-5-chlorothiophene-2-carboxamide
CID 62278190
5-methyl-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide
CID 27839113
N-[[4-(2-aminoethyl)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide
CID 62830096
N-(2-amino-2-ethylbutyl)-5-methylthiophene-2-carboxamide
CID 81484281
N-(3-amino-3-sulfanylidenepropyl)-5-methylthiophene-2-carboxamide
CID 62665926
5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-carboxamide
CID 39855027

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-aminoethyl)phenyl]methyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[[4-(2-aminoethyl)phenyl]methyl]-5-methylthiophene-2-carboxamide (CID 62502316) is N-[[4-(2-aminoethyl)phenyl]methyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[[4-(2-aminoethyl)phenyl]methyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[[4-(2-aminoethyl)phenyl]methyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NCc2ccc(CCN)cc2)s1.
What is the InChIKey of N-[[4-(2-aminoethyl)phenyl]methyl]-5-methylthiophene-2-carboxamide?
The InChIKey is DPXUTLFYALNTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-11-2-7-14(19-11)15(18)17-10-13-5-3-12(4-6-13)8-9-16/h2-7H,8-10,16H2,1H3,(H,17,18).
What are the key properties of N-[[4-(2-aminoethyl)phenyl]methyl]-5-methylthiophene-2-carboxamide?
N-[[4-(2-aminoethyl)phenyl]methyl]-5-methylthiophene-2-carboxamide has a molecular weight of 274.39 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-aminoethyl)phenyl]methyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 62502316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).