3-amino-5-bromo-N-[(4-methylthiophen-3-yl)methyl]-1-benzothiophene-2-carboxamide

C15H13BrN2OS2 — CID 114896688

IUPAC3-amino-5-bromo-N-[(4-methylthiophen-3-yl)methyl]-1-benzothiophene-2-carboxamide
SMILESCc1cscc1CNC(=O)c1sc2ccc(Br)cc2c1N
InChIInChI=1S/C15H13BrN2OS2/c1-8-6-20-7-9(8)5-18-15(19)14-13(17)11-4-10(16)2-3-12(11)21-14/h2-4,6-7H,5,17H2,1H3,(H,18,19)
InChIKeyGWGBVVOUSMBKNA-UHFFFAOYSA-N
MW381.32 g/mol
LogP4.55
Rot. Bonds3

About 3-amino-5-bromo-N-[(4-methylthiophen-3-yl)methyl]-1-benzothiophene-2-carboxamide

3-amino-5-bromo-N-[(4-methylthiophen-3-yl)methyl]-1-benzothiophene-2-carboxamide (PubChem CID 114896688) has the molecular formula C15H13BrN2OS2 and a molecular weight of 381.32 g/mol. Its IUPAC name is 3-amino-5-bromo-N-[(4-methylthiophen-3-yl)methyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-bromo-N-[(4-methylthiophen-3-yl)methyl]-1-benzothiophene-2-carboxamide
PubChem CID114896688
Molecular FormulaC15H13BrN2OS2
Molecular Weight381.32 g/mol
Exact Mass379.97
IUPAC Name3-amino-5-bromo-N-[(4-methylthiophen-3-yl)methyl]-1-benzothiophene-2-carboxamide
SMILESCc1cscc1CNC(=O)c1sc2ccc(Br)cc2c1N
InChIInChI=1S/C15H13BrN2OS2/c1-8-6-20-7-9(8)5-18-15(19)14-13(17)11-4-10(16)2-3-12(11)21-14/h2-4,6-7H,5,17H2,1H3,(H,18,19)
InChIKeyGWGBVVOUSMBKNA-UHFFFAOYSA-N
XLogP4.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.32
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-5-bromo-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 114896598
3-amino-5-bromo-N-[2-(dimethylamino)propyl]-1-benzothiophene-2-carboxamide
CID 114896555
3-amino-5-bromo-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide
CID 107854956
3-amino-5-bromo-N-(4-methylsulfanylbutyl)-1-benzothiophene-2-carboxamide
CID 114896782
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-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-benzothiophene-2-carboxamide
CID 107932277
3-amino-5-bromo-N-(3-methyl-1,2,4-thiadiazol-5-yl)-1-benzothiophene-2-carboxamide
CID 114896813
3-amino-5-bromo-1-benzothiophene-2-carboxamide
CID 59656640
3-amino-5-bromo-N-(4-methyl-3-pyridinyl)-1-benzothiophene-2-carboxamide
CID 114896603
3-amino-N-[(3-bromothiophen-2-yl)methyl]-5-methyl-1-benzothiophene-2-carboxamide
CID 107932455
3-amino-5-bromo-N-(1-hydroxy-4-methylpentan-3-yl)-1-benzothiophene-2-carboxamide
CID 106357993

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-[(4-methylthiophen-3-yl)methyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-5-bromo-N-[(4-methylthiophen-3-yl)methyl]-1-benzothiophene-2-carboxamide (CID 114896688) is 3-amino-5-bromo-N-[(4-methylthiophen-3-yl)methyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-bromo-N-[(4-methylthiophen-3-yl)methyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-bromo-N-[(4-methylthiophen-3-yl)methyl]-1-benzothiophene-2-carboxamide is Cc1cscc1CNC(=O)c1sc2ccc(Br)cc2c1N.
What is the InChIKey of 3-amino-5-bromo-N-[(4-methylthiophen-3-yl)methyl]-1-benzothiophene-2-carboxamide?
The InChIKey is GWGBVVOUSMBKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2OS2/c1-8-6-20-7-9(8)5-18-15(19)14-13(17)11-4-10(16)2-3-12(11)21-14/h2-4,6-7H,5,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-5-bromo-N-[(4-methylthiophen-3-yl)methyl]-1-benzothiophene-2-carboxamide?
3-amino-5-bromo-N-[(4-methylthiophen-3-yl)methyl]-1-benzothiophene-2-carboxamide has a molecular weight of 381.32 g/mol, XLogP of 4.55, 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-[(4-methylthiophen-3-yl)methyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 114896688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).