N-[2-[1-benzothiophen-2-ylmethyl(methyl)amino]ethyl]-3-thiophen-2-ylpropanamide

C19H22N2OS2 — CID 166370496

IUPACN-[2-[1-benzothiophen-2-ylmethyl(methyl)amino]ethyl]-3-thiophen-2-ylpropanamide
SMILESCN(CCNC(=O)CCc1cccs1)Cc1cc2ccccc2s1
InChIInChI=1S/C19H22N2OS2/c1-21(14-17-13-15-5-2-3-7-18(15)24-17)11-10-20-19(22)9-8-16-6-4-12-23-16/h2-7,12-13H,8-11,14H2,1H3,(H,20,22)
InChIKeyIQLZLGCACOVGNL-UHFFFAOYSA-N
MW358.53 g/mol
LogP4.14
Rot. Bonds8

About N-[2-[1-benzothiophen-2-ylmethyl(methyl)amino]ethyl]-3-thiophen-2-ylpropanamide

N-[2-[1-benzothiophen-2-ylmethyl(methyl)amino]ethyl]-3-thiophen-2-ylpropanamide (PubChem CID 166370496) has the molecular formula C19H22N2OS2 and a molecular weight of 358.53 g/mol. Its IUPAC name is N-[2-[1-benzothiophen-2-ylmethyl(methyl)amino]ethyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[2-[1-benzothiophen-2-ylmethyl(methyl)amino]ethyl]-3-thiophen-2-ylpropanamide
PubChem CID166370496
Molecular FormulaC19H22N2OS2
Molecular Weight358.53 g/mol
Exact Mass358.12
IUPAC NameN-[2-[1-benzothiophen-2-ylmethyl(methyl)amino]ethyl]-3-thiophen-2-ylpropanamide
SMILESCN(CCNC(=O)CCc1cccs1)Cc1cc2ccccc2s1
InChIInChI=1S/C19H22N2OS2/c1-21(14-17-13-15-5-2-3-7-18(15)24-17)11-10-20-19(22)9-8-16-6-4-12-23-16/h2-7,12-13H,8-11,14H2,1H3,(H,20,22)
InChIKeyIQLZLGCACOVGNL-UHFFFAOYSA-N
XLogP4.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1-benzothiophen-2-ylmethyl(ethyl)amino]ethyl]-2-thiophen-2-ylacetamide
CID 166370638
N-[2-[di(propan-2-yl)amino]ethyl]-3-thiophen-2-ylpropanamide
CID 78791751
N-[2-(dimethylamino)ethyl]-N'-(thiophen-2-ylmethyl)butanediamide
CID 51362734
N-(quinolin-2-ylmethyl)-3-thiophen-2-ylpropanamide
CID 110734093
3-(1-benzothiophen-2-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 118469725
5-(3-thiophen-2-ylpropanoylamino)pentanoic acid
CID 62031946
2-[2-acetamidoethyl(1-benzothiophen-2-ylmethyl)amino]propanoic acid
CID 122039139
4-[methyl(thiophen-2-ylmethyl)amino]butan-2-one
CID 60648007
N-(1,3-benzothiazol-2-yl)-3-thiophen-2-ylpropanamide
CID 8571563
N-[3-oxo-3-(2-thiophen-2-ylethylamino)propyl]naphthalene-2-carboxamide
CID 55569040
methyl 4-[methyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]butanoate
CID 62012890
N-[2-(3-methoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 110295233

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-benzothiophen-2-ylmethyl(methyl)amino]ethyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of N-[2-[1-benzothiophen-2-ylmethyl(methyl)amino]ethyl]-3-thiophen-2-ylpropanamide (CID 166370496) is N-[2-[1-benzothiophen-2-ylmethyl(methyl)amino]ethyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[2-[1-benzothiophen-2-ylmethyl(methyl)amino]ethyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-[2-[1-benzothiophen-2-ylmethyl(methyl)amino]ethyl]-3-thiophen-2-ylpropanamide is CN(CCNC(=O)CCc1cccs1)Cc1cc2ccccc2s1.
What is the InChIKey of N-[2-[1-benzothiophen-2-ylmethyl(methyl)amino]ethyl]-3-thiophen-2-ylpropanamide?
The InChIKey is IQLZLGCACOVGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS2/c1-21(14-17-13-15-5-2-3-7-18(15)24-17)11-10-20-19(22)9-8-16-6-4-12-23-16/h2-7,12-13H,8-11,14H2,1H3,(H,20,22).
What are the key properties of N-[2-[1-benzothiophen-2-ylmethyl(methyl)amino]ethyl]-3-thiophen-2-ylpropanamide?
N-[2-[1-benzothiophen-2-ylmethyl(methyl)amino]ethyl]-3-thiophen-2-ylpropanamide has a molecular weight of 358.53 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-benzothiophen-2-ylmethyl(methyl)amino]ethyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 166370496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).