3-amino-6-bromo-N-[3-(ethylamino)-3-oxopropyl]-1-benzothiophene-2-carboxamide

C14H16BrN3O2S — CID 114908087

IUPAC3-amino-6-bromo-N-[3-(ethylamino)-3-oxopropyl]-1-benzothiophene-2-carboxamide
SMILESCCNC(=O)CCNC(=O)c1sc2cc(Br)ccc2c1N
InChIInChI=1S/C14H16BrN3O2S/c1-2-17-11(19)5-6-18-14(20)13-12(16)9-4-3-8(15)7-10(9)21-13/h3-4,7H,2,5-6,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyFQETWENGDZTNQP-UHFFFAOYSA-N
MW370.27 g/mol
LogP2.50
Rot. Bonds5

About 3-amino-6-bromo-N-[3-(ethylamino)-3-oxopropyl]-1-benzothiophene-2-carboxamide

3-amino-6-bromo-N-[3-(ethylamino)-3-oxopropyl]-1-benzothiophene-2-carboxamide (PubChem CID 114908087) has the molecular formula C14H16BrN3O2S and a molecular weight of 370.27 g/mol. Its IUPAC name is 3-amino-6-bromo-N-[3-(ethylamino)-3-oxopropyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-bromo-N-[3-(ethylamino)-3-oxopropyl]-1-benzothiophene-2-carboxamide
PubChem CID114908087
Molecular FormulaC14H16BrN3O2S
Molecular Weight370.27 g/mol
Exact Mass369.01
IUPAC Name3-amino-6-bromo-N-[3-(ethylamino)-3-oxopropyl]-1-benzothiophene-2-carboxamide
SMILESCCNC(=O)CCNC(=O)c1sc2cc(Br)ccc2c1N
InChIInChI=1S/C14H16BrN3O2S/c1-2-17-11(19)5-6-18-14(20)13-12(16)9-4-3-8(15)7-10(9)21-13/h3-4,7H,2,5-6,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyFQETWENGDZTNQP-UHFFFAOYSA-N
XLogP2.50
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.27
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-6-bromo-N-[2-(methylsulfamoyl)ethyl]-1-benzothiophene-2-carboxamide
CID 106342970
3-amino-6-bromo-N-(2-methylsulfanylethyl)-1-benzothiophene-2-carboxamide
CID 114907967
3-amino-6-bromo-N-(3-methylsulfanylpropyl)-1-benzothiophene-2-carboxamide
CID 114907968
3-amino-N-(2-amino-2-oxoethyl)-6-bromo-1-benzothiophene-2-carboxamide
CID 114907674
3-amino-6-bromo-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-benzothiophene-2-carboxamide
CID 114907933
3-amino-6-bromo-N-(4-hydroxy-2,2-dimethylbutyl)-1-benzothiophene-2-carboxamide
CID 106149667
3-amino-6-bromo-N-cyclopropyl-1-benzothiophene-2-carboxamide
CID 114907665
3-amino-6-bromo-N-hexan-3-yl-1-benzothiophene-2-carboxamide
CID 114907910
3-amino-6-bromo-N-(3-methylbutan-2-yl)-1-benzothiophene-2-carboxamide
CID 114907732
3-amino-6-bromo-N,N-dipropyl-1-benzothiophene-2-carboxamide
CID 114907680
3-amino-6-bromo-N-(4-hydroxybutan-2-yl)-1-benzothiophene-2-carboxamide
CID 114908078
3-amino-6-bromo-N-(thian-4-ylmethyl)-1-benzothiophene-2-carboxamide
CID 114908127

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-bromo-N-[3-(ethylamino)-3-oxopropyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-6-bromo-N-[3-(ethylamino)-3-oxopropyl]-1-benzothiophene-2-carboxamide (CID 114908087) is 3-amino-6-bromo-N-[3-(ethylamino)-3-oxopropyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-6-bromo-N-[3-(ethylamino)-3-oxopropyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-6-bromo-N-[3-(ethylamino)-3-oxopropyl]-1-benzothiophene-2-carboxamide is CCNC(=O)CCNC(=O)c1sc2cc(Br)ccc2c1N.
What is the InChIKey of 3-amino-6-bromo-N-[3-(ethylamino)-3-oxopropyl]-1-benzothiophene-2-carboxamide?
The InChIKey is FQETWENGDZTNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2S/c1-2-17-11(19)5-6-18-14(20)13-12(16)9-4-3-8(15)7-10(9)21-13/h3-4,7H,2,5-6,16H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 3-amino-6-bromo-N-[3-(ethylamino)-3-oxopropyl]-1-benzothiophene-2-carboxamide?
3-amino-6-bromo-N-[3-(ethylamino)-3-oxopropyl]-1-benzothiophene-2-carboxamide has a molecular weight of 370.27 g/mol, XLogP of 2.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-bromo-N-[3-(ethylamino)-3-oxopropyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 114908087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).