N-[4-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)phenyl]acetamide

C17H18N2OS — CID 79212993

IUPACN-[4-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(NCC2Cc3ccccc3S2)cc1
InChIInChI=1S/C17H18N2OS/c1-12(20)19-15-8-6-14(7-9-15)18-11-16-10-13-4-2-3-5-17(13)21-16/h2-9,16,18H,10-11H2,1H3,(H,19,20)
InChIKeyTXFDMPOAQSBJPA-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.77
Rot. Bonds4

About N-[4-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)phenyl]acetamide

N-[4-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)phenyl]acetamide (PubChem CID 79212993) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[4-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)phenyl]acetamide
PubChem CID79212993
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC NameN-[4-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(NCC2Cc3ccccc3S2)cc1
InChIInChI=1S/C17H18N2OS/c1-12(20)19-15-8-6-14(7-9-15)18-11-16-10-13-4-2-3-5-17(13)21-16/h2-9,16,18H,10-11H2,1H3,(H,19,20)
InChIKeyTXFDMPOAQSBJPA-UHFFFAOYSA-N
XLogP3.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-iodoaniline
CID 79213442
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,4-dimethylaniline
CID 79212123
N-(4-acetamidophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51309078
2-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)-2-methylpropanoic acid
CID 79228924
3-bromo-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-fluoroaniline
CID 104777667
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-fluoro-4-methoxyaniline
CID 79213733
4-bromo-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methoxyaniline
CID 82867450
2-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)propanamide
CID 79214050
2-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)-N-propan-2-ylacetamide
CID 79214054
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-ethoxyaniline
CID 79222550
2,6-dibromo-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylaniline
CID 79213445
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methyl-3-(methylamino)-3-oxopropanoic acid
CID 114900228

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)phenyl]acetamide?
The IUPAC name of N-[4-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)phenyl]acetamide (CID 79212993) is N-[4-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)phenyl]acetamide.
What is the SMILES notation for N-[4-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)phenyl]acetamide?
The canonical SMILES for N-[4-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)phenyl]acetamide is CC(=O)Nc1ccc(NCC2Cc3ccccc3S2)cc1.
What is the InChIKey of N-[4-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)phenyl]acetamide?
The InChIKey is TXFDMPOAQSBJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-12(20)19-15-8-6-14(7-9-15)18-11-16-10-13-4-2-3-5-17(13)21-16/h2-9,16,18H,10-11H2,1H3,(H,19,20).
What are the key properties of N-[4-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)phenyl]acetamide?
N-[4-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)phenyl]acetamide has a molecular weight of 298.41 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)phenyl]acetamide is sourced from PubChem (CID 79212993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).