2-(1-benzothiophen-5-yl)-N-[2-[4-[(dimethylamino)methyl]phenyl]ethyl]acetamide

C21H24N2OS — CID 166370495

IUPAC2-(1-benzothiophen-5-yl)-N-[2-[4-[(dimethylamino)methyl]phenyl]ethyl]acetamide
SMILESCN(C)Cc1ccc(CCNC(=O)Cc2ccc3sccc3c2)cc1
InChIInChI=1S/C21H24N2OS/c1-23(2)15-17-5-3-16(4-6-17)9-11-22-21(24)14-18-7-8-20-19(13-18)10-12-25-20/h3-8,10,12-13H,9,11,14-15H2,1-2H3,(H,22,24)
InChIKeyGSVARHFDONSMDA-UHFFFAOYSA-N
MW352.50 g/mol
LogP3.86
Rot. Bonds7

About 2-(1-benzothiophen-5-yl)-N-[2-[4-[(dimethylamino)methyl]phenyl]ethyl]acetamide

2-(1-benzothiophen-5-yl)-N-[2-[4-[(dimethylamino)methyl]phenyl]ethyl]acetamide (PubChem CID 166370495) has the molecular formula C21H24N2OS and a molecular weight of 352.50 g/mol. Its IUPAC name is 2-(1-benzothiophen-5-yl)-N-[2-[4-[(dimethylamino)methyl]phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(1-benzothiophen-5-yl)-N-[2-[4-[(dimethylamino)methyl]phenyl]ethyl]acetamide
PubChem CID166370495
Molecular FormulaC21H24N2OS
Molecular Weight352.50 g/mol
Exact Mass352.16
IUPAC Name2-(1-benzothiophen-5-yl)-N-[2-[4-[(dimethylamino)methyl]phenyl]ethyl]acetamide
SMILESCN(C)Cc1ccc(CCNC(=O)Cc2ccc3sccc3c2)cc1
InChIInChI=1S/C21H24N2OS/c1-23(2)15-17-5-3-16(4-6-17)9-11-22-21(24)14-18-7-8-20-19(13-18)10-12-25-20/h3-8,10,12-13H,9,11,14-15H2,1-2H3,(H,22,24)
InChIKeyGSVARHFDONSMDA-UHFFFAOYSA-N
XLogP3.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-5-yl)-N-[2-[4-[(dimethylamino)methyl]phenyl]ethyl]acetamide?
The IUPAC name of 2-(1-benzothiophen-5-yl)-N-[2-[4-[(dimethylamino)methyl]phenyl]ethyl]acetamide (CID 166370495) is 2-(1-benzothiophen-5-yl)-N-[2-[4-[(dimethylamino)methyl]phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(1-benzothiophen-5-yl)-N-[2-[4-[(dimethylamino)methyl]phenyl]ethyl]acetamide?
The canonical SMILES for 2-(1-benzothiophen-5-yl)-N-[2-[4-[(dimethylamino)methyl]phenyl]ethyl]acetamide is CN(C)Cc1ccc(CCNC(=O)Cc2ccc3sccc3c2)cc1.
What is the InChIKey of 2-(1-benzothiophen-5-yl)-N-[2-[4-[(dimethylamino)methyl]phenyl]ethyl]acetamide?
The InChIKey is GSVARHFDONSMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2OS/c1-23(2)15-17-5-3-16(4-6-17)9-11-22-21(24)14-18-7-8-20-19(13-18)10-12-25-20/h3-8,10,12-13H,9,11,14-15H2,1-2H3,(H,22,24).
What are the key properties of 2-(1-benzothiophen-5-yl)-N-[2-[4-[(dimethylamino)methyl]phenyl]ethyl]acetamide?
2-(1-benzothiophen-5-yl)-N-[2-[4-[(dimethylamino)methyl]phenyl]ethyl]acetamide has a molecular weight of 352.50 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-5-yl)-N-[2-[4-[(dimethylamino)methyl]phenyl]ethyl]acetamide is sourced from PubChem (CID 166370495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).