N-[2-[[2-(dimethylamino)anilino]methyl]thiophen-3-yl]acetamide

C15H19N3OS — CID 66387949

IUPACN-[2-[[2-(dimethylamino)anilino]methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNc1ccccc1N(C)C
InChIInChI=1S/C15H19N3OS/c1-11(19)17-13-8-9-20-15(13)10-16-12-6-4-5-7-14(12)18(2)3/h4-9,16H,10H2,1-3H3,(H,17,19)
InChIKeyOLVDPIMJMNAFBH-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.38
Rot. Bonds5

About N-[2-[[2-(dimethylamino)anilino]methyl]thiophen-3-yl]acetamide

N-[2-[[2-(dimethylamino)anilino]methyl]thiophen-3-yl]acetamide (PubChem CID 66387949) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[2-[[2-(dimethylamino)anilino]methyl]thiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[[2-(dimethylamino)anilino]methyl]thiophen-3-yl]acetamide
PubChem CID66387949
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-[2-[[2-(dimethylamino)anilino]methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNc1ccccc1N(C)C
InChIInChI=1S/C15H19N3OS/c1-11(19)17-13-8-9-20-15(13)10-16-12-6-4-5-7-14(12)18(2)3/h4-9,16H,10H2,1-3H3,(H,17,19)
InChIKeyOLVDPIMJMNAFBH-UHFFFAOYSA-N
XLogP3.38
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[3-chloro-2-(dimethylamino)anilino]methyl]thiophen-3-yl]acetamide
CID 66386165
1-N-[(3-bromothiophen-2-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 115380037
N-[4-[[2-(dimethylamino)anilino]methyl]phenyl]acetamide
CID 43726479
N-[2-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]thiophen-3-yl]acetamide
CID 66386316
N-[2-[(thiophen-3-ylamino)methyl]thiophen-3-yl]acetamide
CID 66385011
4-[(3-acetamidothiophen-2-yl)methylamino]benzoic acid
CID 66387123
N-[2-[(2-fluoro-5-methylanilino)methyl]thiophen-3-yl]acetamide
CID 66384913
N-[2-[[(2,5-dimethylpyrrol-1-yl)amino]methyl]thiophen-3-yl]acetamide
CID 79101536
N-[2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]thiophen-3-yl]acetamide
CID 106186084
N-[2-[[[(1R)-1-phenylethyl]amino]methyl]thiophen-3-yl]acetamide
CID 81350667
N-[2-[(2,4,6-tribromoanilino)methyl]thiophen-3-yl]acetamide
CID 66386124
N-[2-[(3-propan-2-ylanilino)methyl]thiophen-3-yl]acetamide
CID 66386116

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(dimethylamino)anilino]methyl]thiophen-3-yl]acetamide?
The IUPAC name of N-[2-[[2-(dimethylamino)anilino]methyl]thiophen-3-yl]acetamide (CID 66387949) is N-[2-[[2-(dimethylamino)anilino]methyl]thiophen-3-yl]acetamide.
What is the SMILES notation for N-[2-[[2-(dimethylamino)anilino]methyl]thiophen-3-yl]acetamide?
The canonical SMILES for N-[2-[[2-(dimethylamino)anilino]methyl]thiophen-3-yl]acetamide is CC(=O)Nc1ccsc1CNc1ccccc1N(C)C.
What is the InChIKey of N-[2-[[2-(dimethylamino)anilino]methyl]thiophen-3-yl]acetamide?
The InChIKey is OLVDPIMJMNAFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-11(19)17-13-8-9-20-15(13)10-16-12-6-4-5-7-14(12)18(2)3/h4-9,16H,10H2,1-3H3,(H,17,19).
What are the key properties of N-[2-[[2-(dimethylamino)anilino]methyl]thiophen-3-yl]acetamide?
N-[2-[[2-(dimethylamino)anilino]methyl]thiophen-3-yl]acetamide has a molecular weight of 289.40 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(dimethylamino)anilino]methyl]thiophen-3-yl]acetamide is sourced from PubChem (CID 66387949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).