N-ethyl-2-[(4-phenylthiophen-2-yl)methylamino]acetamide

C15H18N2OS — CID 54903925

IUPACN-ethyl-2-[(4-phenylthiophen-2-yl)methylamino]acetamide
SMILESCCNC(=O)CNCc1cc(-c2ccccc2)cs1
InChIInChI=1S/C15H18N2OS/c1-2-17-15(18)10-16-9-14-8-13(11-19-14)12-6-4-3-5-7-12/h3-8,11,16H,2,9-10H2,1H3,(H,17,18)
InChIKeyGDRTVBYQHJPIDJ-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.64
Rot. Bonds6

About N-ethyl-2-[(4-phenylthiophen-2-yl)methylamino]acetamide

N-ethyl-2-[(4-phenylthiophen-2-yl)methylamino]acetamide (PubChem CID 54903925) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is N-ethyl-2-[(4-phenylthiophen-2-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[(4-phenylthiophen-2-yl)methylamino]acetamide
PubChem CID54903925
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC NameN-ethyl-2-[(4-phenylthiophen-2-yl)methylamino]acetamide
SMILESCCNC(=O)CNCc1cc(-c2ccccc2)cs1
InChIInChI=1S/C15H18N2OS/c1-2-17-15(18)10-16-9-14-8-13(11-19-14)12-6-4-3-5-7-12/h3-8,11,16H,2,9-10H2,1H3,(H,17,18)
InChIKeyGDRTVBYQHJPIDJ-UHFFFAOYSA-N
XLogP2.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(4-phenylthiophen-2-yl)methylamino]acetate
CID 54903997
N-ethyl-2-[(5-phenylthiophen-2-yl)methylamino]acetamide
CID 43223958
2-[(4-phenylthiophen-2-yl)methylamino]propanoic acid
CID 54960058
2-ethylsulfinyl-N-[(4-phenylthiophen-2-yl)methyl]ethanamine
CID 115632380
3-[(4-phenylthiophen-2-yl)methylamino]propan-1-ol
CID 54904244
N-[(4-phenylthiophen-2-yl)methyl]but-2-yn-1-amine
CID 115866204
N-ethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]acetamide
CID 60695092
(2S)-2-(ethylamino)-3-[4-[5-[(2-oxoheptylamino)methyl]thiophen-3-yl]phenyl]propanoic acid
CID 67321508
5-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]thiophene-2-carboxylic acid
CID 103238410
methyl 2-[(4-phenylthiophen-2-yl)methylamino]propanoate
CID 61018262
1-(4-phenylthiophen-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 104589022
2-[(4,5-dimethylthiophen-2-yl)methylamino]-N-ethylacetamide
CID 65244076

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(4-phenylthiophen-2-yl)methylamino]acetamide?
The IUPAC name of N-ethyl-2-[(4-phenylthiophen-2-yl)methylamino]acetamide (CID 54903925) is N-ethyl-2-[(4-phenylthiophen-2-yl)methylamino]acetamide.
What is the SMILES notation for N-ethyl-2-[(4-phenylthiophen-2-yl)methylamino]acetamide?
The canonical SMILES for N-ethyl-2-[(4-phenylthiophen-2-yl)methylamino]acetamide is CCNC(=O)CNCc1cc(-c2ccccc2)cs1.
What is the InChIKey of N-ethyl-2-[(4-phenylthiophen-2-yl)methylamino]acetamide?
The InChIKey is GDRTVBYQHJPIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-2-17-15(18)10-16-9-14-8-13(11-19-14)12-6-4-3-5-7-12/h3-8,11,16H,2,9-10H2,1H3,(H,17,18).
What are the key properties of N-ethyl-2-[(4-phenylthiophen-2-yl)methylamino]acetamide?
N-ethyl-2-[(4-phenylthiophen-2-yl)methylamino]acetamide has a molecular weight of 274.39 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(4-phenylthiophen-2-yl)methylamino]acetamide is sourced from PubChem (CID 54903925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).