N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-cyclopentylsulfanylacetamide

C18H23NOS2 — CID 146079150

IUPACN-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-cyclopentylsulfanylacetamide
SMILESCC(Cc1csc2ccccc12)NC(=O)CSC1CCCC1
InChIInChI=1S/C18H23NOS2/c1-13(19-18(20)12-21-15-6-2-3-7-15)10-14-11-22-17-9-5-4-8-16(14)17/h4-5,8-9,11,13,15H,2-3,6-7,10,12H2,1H3,(H,19,20)
InChIKeyFCXFZJPUTPLPFU-UHFFFAOYSA-N
MW333.52 g/mol
LogP4.62
Rot. Bonds6

About N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-cyclopentylsulfanylacetamide

N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-cyclopentylsulfanylacetamide (PubChem CID 146079150) has the molecular formula C18H23NOS2 and a molecular weight of 333.52 g/mol. Its IUPAC name is N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-cyclopentylsulfanylacetamide.

Molecular Properties

Compound NameN-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-cyclopentylsulfanylacetamide
PubChem CID146079150
Molecular FormulaC18H23NOS2
Molecular Weight333.52 g/mol
Exact Mass333.12
IUPAC NameN-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-cyclopentylsulfanylacetamide
SMILESCC(Cc1csc2ccccc12)NC(=O)CSC1CCCC1
InChIInChI=1S/C18H23NOS2/c1-13(19-18(20)12-21-15-6-2-3-7-15)10-14-11-22-17-9-5-4-8-16(14)17/h4-5,8-9,11,13,15H,2-3,6-7,10,12H2,1H3,(H,19,20)
InChIKeyFCXFZJPUTPLPFU-UHFFFAOYSA-N
XLogP4.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.52
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-cyclopropylacetamide
CID 121023406
N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-methoxyacetamide
CID 121023374
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-cyclopentylsulfanylacetamide
CID 91630824
1-(1-benzothiophen-3-yl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine
CID 65138997
2-(1-benzothiophen-3-ylmethylamino)-N-propan-2-ylacetamide
CID 60704968
N-[1-(1-benzothiophen-3-yl)propan-2-yl]furan-2-carboxamide
CID 119106138
N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-bromobenzamide
CID 119106153
N-[1-(1-benzothiophen-3-yl)propan-2-yl]-5-bromofuran-2-carboxamide
CID 121023395
3-(1-benzothiophen-3-yl)-2-cyclopentyl-N-methylpropan-1-amine
CID 112569750
2-(1-benzothiophen-3-yl)-1-cyclooctylethanone
CID 80602136
N-[1-(1-benzothiophen-3-yl)propan-2-yl]-4-methylthiadiazole-5-carboxamide
CID 121023381
N-(1-benzothiophen-3-ylmethyl)-1-cyclohexylmethanamine
CID 55198456

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-cyclopentylsulfanylacetamide?
The IUPAC name of N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-cyclopentylsulfanylacetamide (CID 146079150) is N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-cyclopentylsulfanylacetamide.
What is the SMILES notation for N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-cyclopentylsulfanylacetamide?
The canonical SMILES for N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-cyclopentylsulfanylacetamide is CC(Cc1csc2ccccc12)NC(=O)CSC1CCCC1.
What is the InChIKey of N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-cyclopentylsulfanylacetamide?
The InChIKey is FCXFZJPUTPLPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS2/c1-13(19-18(20)12-21-15-6-2-3-7-15)10-14-11-22-17-9-5-4-8-16(14)17/h4-5,8-9,11,13,15H,2-3,6-7,10,12H2,1H3,(H,19,20).
What are the key properties of N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-cyclopentylsulfanylacetamide?
N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-cyclopentylsulfanylacetamide has a molecular weight of 333.52 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-cyclopentylsulfanylacetamide is sourced from PubChem (CID 146079150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).