2-[2-(ethylamino)ethylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C13H21N3OS — CID 16640355

IUPAC2-[2-(ethylamino)ethylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCCNCCNc1sc2c(c1C(N)=O)CCCC2
InChIInChI=1S/C13H21N3OS/c1-2-15-7-8-16-13-11(12(14)17)9-5-3-4-6-10(9)18-13/h15-16H,2-8H2,1H3,(H2,14,17)
InChIKeyGPMLFSKJGQBYFY-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.75
Rot. Bonds6

About 2-[2-(ethylamino)ethylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

2-[2-(ethylamino)ethylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 16640355) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 2-[2-(ethylamino)ethylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name2-[2-(ethylamino)ethylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID16640355
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name2-[2-(ethylamino)ethylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCCNCCNc1sc2c(c1C(N)=O)CCCC2
InChIInChI=1S/C13H21N3OS/c1-2-15-7-8-16-13-11(12(14)17)9-5-3-4-6-10(9)18-13/h15-16H,2-8H2,1H3,(H2,14,17)
InChIKeyGPMLFSKJGQBYFY-UHFFFAOYSA-N
XLogP1.75
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(methanesulfonamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 35274190
methyl N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamate
CID 2932152
N,N'-bis(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanediamide
CID 4123677
2-(3-methylbutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 741163
2-(3-bromopropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 154375155
2-[[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 9433139
ethyl 2-(hexylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 110826830
2-(undecanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 3568140
2-(3-methylbutylcarbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 69452121
2-[(2-amino-2-oxoethanethioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 17386363
2-[(2-bromo-2-methylpropanoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 114327564
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-ethylpiperazine-1-carboxamide
CID 2322555

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylamino)ethylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of 2-[2-(ethylamino)ethylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 16640355) is 2-[2-(ethylamino)ethylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 2-[2-(ethylamino)ethylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for 2-[2-(ethylamino)ethylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is CCNCCNc1sc2c(c1C(N)=O)CCCC2.
What is the InChIKey of 2-[2-(ethylamino)ethylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is GPMLFSKJGQBYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-2-15-7-8-16-13-11(12(14)17)9-5-3-4-6-10(9)18-13/h15-16H,2-8H2,1H3,(H2,14,17).
What are the key properties of 2-[2-(ethylamino)ethylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
2-[2-(ethylamino)ethylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 267.40 g/mol, XLogP of 1.75, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylamino)ethylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 16640355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).