3-amino-N-[2-(cyclopenten-1-yl)ethyl]-6-methyl-1-benzothiophene-2-carboxamide

C17H20N2OS — CID 106174239

IUPAC3-amino-N-[2-(cyclopenten-1-yl)ethyl]-6-methyl-1-benzothiophene-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)NCCC3=CCCC3)sc2c1
InChIInChI=1S/C17H20N2OS/c1-11-6-7-13-14(10-11)21-16(15(13)18)17(20)19-9-8-12-4-2-3-5-12/h4,6-7,10H,2-3,5,8-9,18H2,1H3,(H,19,20)
InChIKeyJWAABWBHTGUMAH-UHFFFAOYSA-N
MW300.43 g/mol
LogP4.02
Rot. Bonds4

About 3-amino-N-[2-(cyclopenten-1-yl)ethyl]-6-methyl-1-benzothiophene-2-carboxamide

3-amino-N-[2-(cyclopenten-1-yl)ethyl]-6-methyl-1-benzothiophene-2-carboxamide (PubChem CID 106174239) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 3-amino-N-[2-(cyclopenten-1-yl)ethyl]-6-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(cyclopenten-1-yl)ethyl]-6-methyl-1-benzothiophene-2-carboxamide
PubChem CID106174239
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name3-amino-N-[2-(cyclopenten-1-yl)ethyl]-6-methyl-1-benzothiophene-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)NCCC3=CCCC3)sc2c1
InChIInChI=1S/C17H20N2OS/c1-11-6-7-13-14(10-11)21-16(15(13)18)17(20)19-9-8-12-4-2-3-5-12/h4,6-7,10H,2-3,5,8-9,18H2,1H3,(H,19,20)
InChIKeyJWAABWBHTGUMAH-UHFFFAOYSA-N
XLogP4.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(5-hydroxypentyl)-6-methyl-1-benzothiophene-2-carboxamide
CID 107323866
3-amino-N-[3-(2-hydroxyethoxy)propyl]-6-methyl-1-benzothiophene-2-carboxamide
CID 106311382
2-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 106175161
3-chloro-N-[2-(cyclohexen-1-yl)ethyl]-6-methoxy-1-benzothiophene-2-carboxamide
CID 675725
3-amino-N-[(3-hydroxycyclobutyl)methyl]-6-methyl-1-benzothiophene-2-carboxamide
CID 66007256
3-amino-N-[2-(cyclohexen-1-yl)ethyl]-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
CID 23772096
3-amino-6-methyl-N-(thiolan-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 107298626
3-amino-6-methyl-N-(1-methylcyclopropyl)-1-benzothiophene-2-carboxamide
CID 113486145
3-amino-5-methyl-N-(2-methylsulfonylethyl)-1-benzothiophene-2-carboxamide
CID 107932222
3-amino-5-methyl-N-(2-thiophen-3-ylethyl)-1-benzothiophene-2-carboxamide
CID 107932272
3-amino-5-methyl-N-(3-methylbutyl)-1-benzothiophene-2-carboxamide
CID 107932105
3-amino-N-(4-amino-4-oxobutyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932219

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(cyclopenten-1-yl)ethyl]-6-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-N-[2-(cyclopenten-1-yl)ethyl]-6-methyl-1-benzothiophene-2-carboxamide (CID 106174239) is 3-amino-N-[2-(cyclopenten-1-yl)ethyl]-6-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(cyclopenten-1-yl)ethyl]-6-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-(cyclopenten-1-yl)ethyl]-6-methyl-1-benzothiophene-2-carboxamide is Cc1ccc2c(N)c(C(=O)NCCC3=CCCC3)sc2c1.
What is the InChIKey of 3-amino-N-[2-(cyclopenten-1-yl)ethyl]-6-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is JWAABWBHTGUMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-11-6-7-13-14(10-11)21-16(15(13)18)17(20)19-9-8-12-4-2-3-5-12/h4,6-7,10H,2-3,5,8-9,18H2,1H3,(H,19,20).
What are the key properties of 3-amino-N-[2-(cyclopenten-1-yl)ethyl]-6-methyl-1-benzothiophene-2-carboxamide?
3-amino-N-[2-(cyclopenten-1-yl)ethyl]-6-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 300.43 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(cyclopenten-1-yl)ethyl]-6-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 106174239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).