N,N-dimethyl-2-[4-(thiophen-3-ylmethylamino)phenyl]acetamide

C15H18N2OS — CID 43720754

IUPACN,N-dimethyl-2-[4-(thiophen-3-ylmethylamino)phenyl]acetamide
SMILESCN(C)C(=O)Cc1ccc(NCc2ccsc2)cc1
InChIInChI=1S/C15H18N2OS/c1-17(2)15(18)9-12-3-5-14(6-4-12)16-10-13-7-8-19-11-13/h3-8,11,16H,9-10H2,1-2H3
InChIKeyXSQLXCFIEVABBS-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.99
Rot. Bonds5

About N,N-dimethyl-2-[4-(thiophen-3-ylmethylamino)phenyl]acetamide

N,N-dimethyl-2-[4-(thiophen-3-ylmethylamino)phenyl]acetamide (PubChem CID 43720754) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-(thiophen-3-ylmethylamino)phenyl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-(thiophen-3-ylmethylamino)phenyl]acetamide
PubChem CID43720754
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC NameN,N-dimethyl-2-[4-(thiophen-3-ylmethylamino)phenyl]acetamide
SMILESCN(C)C(=O)Cc1ccc(NCc2ccsc2)cc1
InChIInChI=1S/C15H18N2OS/c1-17(2)15(18)9-12-3-5-14(6-4-12)16-10-13-7-8-19-11-13/h3-8,11,16H,9-10H2,1-2H3
InChIKeyXSQLXCFIEVABBS-UHFFFAOYSA-N
XLogP2.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-methyl-2-[4-(thiophen-3-ylmethylamino)phenyl]acetamide
CID 42852740
N,N-dimethyl-4-(thiophen-3-ylmethylamino)benzamide
CID 43681971
N,N-dimethyl-2-[4-(1H-pyrrol-3-ylmethylamino)phenyl]acetamide
CID 66409827
N,N-dimethyl-2-[4-[(4-methyl-1,3-thiazol-2-yl)methylamino]phenyl]acetamide
CID 115633702
4-(chloromethyl)-N-(thiophen-3-ylmethyl)aniline
CID 65025400
2-[4-[(2-bromophenyl)methylamino]phenyl]-N,N-dimethylacetamide
CID 43720767
2-[4-[(5-bromofuran-2-yl)methylamino]phenyl]-N,N-dimethylacetamide
CID 43720757
N,N-dimethyl-2-[4-[(3-methylfuran-2-yl)methylamino]phenyl]acetamide
CID 115652552
2-[4-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]phenyl]-N,N-dimethylacetamide
CID 51116703
2-[4-[(4-bromo-5-chlorothiophen-2-yl)methylamino]phenyl]-N,N-dimethylacetamide
CID 102833022
4-phenyl-N-(thiophen-3-ylmethyl)aniline
CID 43716853
N,N-dimethyl-2-[4-(propan-2-ylamino)phenyl]acetamide
CID 43720790

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-(thiophen-3-ylmethylamino)phenyl]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-(thiophen-3-ylmethylamino)phenyl]acetamide (CID 43720754) is N,N-dimethyl-2-[4-(thiophen-3-ylmethylamino)phenyl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-(thiophen-3-ylmethylamino)phenyl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-(thiophen-3-ylmethylamino)phenyl]acetamide is CN(C)C(=O)Cc1ccc(NCc2ccsc2)cc1.
What is the InChIKey of N,N-dimethyl-2-[4-(thiophen-3-ylmethylamino)phenyl]acetamide?
The InChIKey is XSQLXCFIEVABBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-17(2)15(18)9-12-3-5-14(6-4-12)16-10-13-7-8-19-11-13/h3-8,11,16H,9-10H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[4-(thiophen-3-ylmethylamino)phenyl]acetamide?
N,N-dimethyl-2-[4-(thiophen-3-ylmethylamino)phenyl]acetamide has a molecular weight of 274.39 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-(thiophen-3-ylmethylamino)phenyl]acetamide is sourced from PubChem (CID 43720754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).