N-benzyl-N-methyl-2-[4-(thiophen-3-ylmethylamino)phenyl]acetamide

C21H22N2OS — CID 42852740

IUPACN-benzyl-N-methyl-2-[4-(thiophen-3-ylmethylamino)phenyl]acetamide
SMILESCN(Cc1ccccc1)C(=O)Cc1ccc(NCc2ccsc2)cc1
InChIInChI=1S/C21H22N2OS/c1-23(15-18-5-3-2-4-6-18)21(24)13-17-7-9-20(10-8-17)22-14-19-11-12-25-16-19/h2-12,16,22H,13-15H2,1H3
InChIKeyWIANOTHXARDRFO-UHFFFAOYSA-N
MW350.49 g/mol
LogP4.56
Rot. Bonds7

About N-benzyl-N-methyl-2-[4-(thiophen-3-ylmethylamino)phenyl]acetamide

N-benzyl-N-methyl-2-[4-(thiophen-3-ylmethylamino)phenyl]acetamide (PubChem CID 42852740) has the molecular formula C21H22N2OS and a molecular weight of 350.49 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-[4-(thiophen-3-ylmethylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-[4-(thiophen-3-ylmethylamino)phenyl]acetamide
PubChem CID42852740
Molecular FormulaC21H22N2OS
Molecular Weight350.49 g/mol
Exact Mass350.15
IUPAC NameN-benzyl-N-methyl-2-[4-(thiophen-3-ylmethylamino)phenyl]acetamide
SMILESCN(Cc1ccccc1)C(=O)Cc1ccc(NCc2ccsc2)cc1
InChIInChI=1S/C21H22N2OS/c1-23(15-18-5-3-2-4-6-18)21(24)13-17-7-9-20(10-8-17)22-14-19-11-12-25-16-19/h2-12,16,22H,13-15H2,1H3
InChIKeyWIANOTHXARDRFO-UHFFFAOYSA-N
XLogP4.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-[4-(thiophen-3-ylmethylamino)phenyl]acetamide
CID 43720754
N-benzyl-2-[4-[(4-tert-butylphenyl)methylamino]phenyl]-N-methylacetamide
CID 42852735
N-methyl-2-phenyl-N-[(4-phenylphenyl)methyl]acetamide
CID 55580695
2-(4-chlorophenyl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 110868986
N,N-dimethyl-4-(thiophen-3-ylmethylamino)benzamide
CID 43681971
4-phenyl-N-(thiophen-3-ylmethyl)aniline
CID 43716853
N-benzyl-N-methyl-2-(4-sulfanylphenyl)acetamide
CID 107020688
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methyl-2-thiophen-3-ylacetamide
CID 9468010
N-[(3-carbamothioylphenyl)methyl]-N-methyl-2-thiophen-3-ylacetamide
CID 62967035
N-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 56705022
3-[methyl-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]amino]propanoic acid
CID 60986769
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-[4-(thiophen-3-ylmethylamino)phenyl]acetamide?
The IUPAC name of N-benzyl-N-methyl-2-[4-(thiophen-3-ylmethylamino)phenyl]acetamide (CID 42852740) is N-benzyl-N-methyl-2-[4-(thiophen-3-ylmethylamino)phenyl]acetamide.
What is the SMILES notation for N-benzyl-N-methyl-2-[4-(thiophen-3-ylmethylamino)phenyl]acetamide?
The canonical SMILES for N-benzyl-N-methyl-2-[4-(thiophen-3-ylmethylamino)phenyl]acetamide is CN(Cc1ccccc1)C(=O)Cc1ccc(NCc2ccsc2)cc1.
What is the InChIKey of N-benzyl-N-methyl-2-[4-(thiophen-3-ylmethylamino)phenyl]acetamide?
The InChIKey is WIANOTHXARDRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2OS/c1-23(15-18-5-3-2-4-6-18)21(24)13-17-7-9-20(10-8-17)22-14-19-11-12-25-16-19/h2-12,16,22H,13-15H2,1H3.
What are the key properties of N-benzyl-N-methyl-2-[4-(thiophen-3-ylmethylamino)phenyl]acetamide?
N-benzyl-N-methyl-2-[4-(thiophen-3-ylmethylamino)phenyl]acetamide has a molecular weight of 350.49 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-[4-(thiophen-3-ylmethylamino)phenyl]acetamide is sourced from PubChem (CID 42852740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).