3-amino-5-bromo-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide

C14H11BrN2OS2 — CID 114896598

IUPAC3-amino-5-bromo-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide
SMILESNc1c(C(=O)NCc2ccsc2)sc2ccc(Br)cc12
InChIInChI=1S/C14H11BrN2OS2/c15-9-1-2-11-10(5-9)12(16)13(20-11)14(18)17-6-8-3-4-19-7-8/h1-5,7H,6,16H2,(H,17,18)
InChIKeyWRTFCJBZYOJJJF-UHFFFAOYSA-N
MW367.29 g/mol
LogP4.24
Rot. Bonds3

About 3-amino-5-bromo-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide

3-amino-5-bromo-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide (PubChem CID 114896598) has the molecular formula C14H11BrN2OS2 and a molecular weight of 367.29 g/mol. Its IUPAC name is 3-amino-5-bromo-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-bromo-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide
PubChem CID114896598
Molecular FormulaC14H11BrN2OS2
Molecular Weight367.29 g/mol
Exact Mass365.95
IUPAC Name3-amino-5-bromo-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide
SMILESNc1c(C(=O)NCc2ccsc2)sc2ccc(Br)cc12
InChIInChI=1S/C14H11BrN2OS2/c15-9-1-2-11-10(5-9)12(16)13(20-11)14(18)17-6-8-3-4-19-7-8/h1-5,7H,6,16H2,(H,17,18)
InChIKeyWRTFCJBZYOJJJF-UHFFFAOYSA-N
XLogP4.24
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.29
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-5-bromo-N-[(4-methylthiophen-3-yl)methyl]-1-benzothiophene-2-carboxamide
CID 114896688
3-amino-6-methoxy-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 81302164
3-amino-5-methyl-N-(2-thiophen-3-ylethyl)-1-benzothiophene-2-carboxamide
CID 107932272
3-amino-5-bromo-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide
CID 107854956
3-amino-5-bromo-N-[2-(dimethylamino)propyl]-1-benzothiophene-2-carboxamide
CID 114896555
3-amino-5-bromo-N-(4-methylsulfanylbutyl)-1-benzothiophene-2-carboxamide
CID 114896782
3-amino-5-bromo-1-benzothiophene-2-carboxamide
CID 59656640
4-bromo-2-sulfanyl-N-(thiophen-3-ylmethyl)benzamide
CID 107029559
3-amino-5-bromo-N-(3-methylbutan-2-yl)-1-benzothiophene-2-carboxamide
CID 114896388
3-amino-5-bromo-N-(4-hydroxybutan-2-yl)-1-benzothiophene-2-carboxamide
CID 114896733
3-amino-5-bromo-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 106410237
3-amino-5-bromo-N-cyclopentyl-1-benzothiophene-2-carboxamide
CID 114896323

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-5-bromo-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide (CID 114896598) is 3-amino-5-bromo-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-bromo-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-bromo-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide is Nc1c(C(=O)NCc2ccsc2)sc2ccc(Br)cc12.
What is the InChIKey of 3-amino-5-bromo-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is WRTFCJBZYOJJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2OS2/c15-9-1-2-11-10(5-9)12(16)13(20-11)14(18)17-6-8-3-4-19-7-8/h1-5,7H,6,16H2,(H,17,18).
What are the key properties of 3-amino-5-bromo-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide?
3-amino-5-bromo-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 367.29 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 114896598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).