N-[2-[1-benzothiophen-2-ylmethyl(ethyl)amino]ethyl]-2-thiophen-2-ylacetamide

C19H22N2OS2 — CID 166370638

IUPACN-[2-[1-benzothiophen-2-ylmethyl(ethyl)amino]ethyl]-2-thiophen-2-ylacetamide
SMILESCCN(CCNC(=O)Cc1cccs1)Cc1cc2ccccc2s1
InChIInChI=1S/C19H22N2OS2/c1-2-21(10-9-20-19(22)13-16-7-5-11-23-16)14-17-12-15-6-3-4-8-18(15)24-17/h3-8,11-12H,2,9-10,13-14H2,1H3,(H,20,22)
InChIKeyNQHSRCOTRDLFRM-UHFFFAOYSA-N
MW358.53 g/mol
LogP4.14
Rot. Bonds8

About N-[2-[1-benzothiophen-2-ylmethyl(ethyl)amino]ethyl]-2-thiophen-2-ylacetamide

N-[2-[1-benzothiophen-2-ylmethyl(ethyl)amino]ethyl]-2-thiophen-2-ylacetamide (PubChem CID 166370638) has the molecular formula C19H22N2OS2 and a molecular weight of 358.53 g/mol. Its IUPAC name is N-[2-[1-benzothiophen-2-ylmethyl(ethyl)amino]ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-[1-benzothiophen-2-ylmethyl(ethyl)amino]ethyl]-2-thiophen-2-ylacetamide
PubChem CID166370638
Molecular FormulaC19H22N2OS2
Molecular Weight358.53 g/mol
Exact Mass358.12
IUPAC NameN-[2-[1-benzothiophen-2-ylmethyl(ethyl)amino]ethyl]-2-thiophen-2-ylacetamide
SMILESCCN(CCNC(=O)Cc1cccs1)Cc1cc2ccccc2s1
InChIInChI=1S/C19H22N2OS2/c1-2-21(10-9-20-19(22)13-16-7-5-11-23-16)14-17-12-15-6-3-4-8-18(15)24-17/h3-8,11-12H,2,9-10,13-14H2,1H3,(H,20,22)
InChIKeyNQHSRCOTRDLFRM-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(methyl)amino]ethyl]-3-thiophen-2-ylpropanamide
CID 166370496
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
N-[2-(2-methylindol-1-yl)ethyl]-2-thiophen-2-ylacetamide
CID 5080463
N-[2-[(2-chloroacetyl)amino]ethyl]-2-thiophen-2-ylacetamide
CID 108573266
N,N'-diethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 10512741
N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-2-thiophen-2-ylacetamide
CID 113055189
2-[ethyl(3-hydroxypropyl)amino]-N-(2-thiophen-2-ylethyl)acetamide
CID 115666347
N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]-2-thiophen-2-ylacetamide
CID 113068548
2-hydroxy-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]benzamide
CID 47712275
N-(naphthalen-1-ylmethyl)-2-thiophen-2-ylacetamide
CID 95960121
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-thiophen-2-ylacetamide
CID 113067070

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-benzothiophen-2-ylmethyl(ethyl)amino]ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-[1-benzothiophen-2-ylmethyl(ethyl)amino]ethyl]-2-thiophen-2-ylacetamide (CID 166370638) is N-[2-[1-benzothiophen-2-ylmethyl(ethyl)amino]ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-[1-benzothiophen-2-ylmethyl(ethyl)amino]ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-[1-benzothiophen-2-ylmethyl(ethyl)amino]ethyl]-2-thiophen-2-ylacetamide is CCN(CCNC(=O)Cc1cccs1)Cc1cc2ccccc2s1.
What is the InChIKey of N-[2-[1-benzothiophen-2-ylmethyl(ethyl)amino]ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is NQHSRCOTRDLFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS2/c1-2-21(10-9-20-19(22)13-16-7-5-11-23-16)14-17-12-15-6-3-4-8-18(15)24-17/h3-8,11-12H,2,9-10,13-14H2,1H3,(H,20,22).
What are the key properties of N-[2-[1-benzothiophen-2-ylmethyl(ethyl)amino]ethyl]-2-thiophen-2-ylacetamide?
N-[2-[1-benzothiophen-2-ylmethyl(ethyl)amino]ethyl]-2-thiophen-2-ylacetamide 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(ethyl)amino]ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 166370638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).