3-amino-5-bromo-N-cyclopentyl-1-benzothiophene-2-carboxamide

C14H15BrN2OS — CID 114896323

IUPAC3-amino-5-bromo-N-cyclopentyl-1-benzothiophene-2-carboxamide
SMILESNc1c(C(=O)NC2CCCC2)sc2ccc(Br)cc12
InChIInChI=1S/C14H15BrN2OS/c15-8-5-6-11-10(7-8)12(16)13(19-11)14(18)17-9-3-1-2-4-9/h5-7,9H,1-4,16H2,(H,17,18)
InChIKeyPBKIBRKGNRBTMW-UHFFFAOYSA-N
MW339.26 g/mol
LogP3.92
Rot. Bonds2

About 3-amino-5-bromo-N-cyclopentyl-1-benzothiophene-2-carboxamide

3-amino-5-bromo-N-cyclopentyl-1-benzothiophene-2-carboxamide (PubChem CID 114896323) has the molecular formula C14H15BrN2OS and a molecular weight of 339.26 g/mol. Its IUPAC name is 3-amino-5-bromo-N-cyclopentyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-bromo-N-cyclopentyl-1-benzothiophene-2-carboxamide
PubChem CID114896323
Molecular FormulaC14H15BrN2OS
Molecular Weight339.26 g/mol
Exact Mass338.01
IUPAC Name3-amino-5-bromo-N-cyclopentyl-1-benzothiophene-2-carboxamide
SMILESNc1c(C(=O)NC2CCCC2)sc2ccc(Br)cc12
InChIInChI=1S/C14H15BrN2OS/c15-8-5-6-11-10(7-8)12(16)13(19-11)14(18)17-9-3-1-2-4-9/h5-7,9H,1-4,16H2,(H,17,18)
InChIKeyPBKIBRKGNRBTMW-UHFFFAOYSA-N
XLogP3.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.26
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-6-bromo-N-cyclopropyl-1-benzothiophene-2-carboxamide
CID 114907665
3-amino-N-cycloheptyl-5-methyl-1-benzothiophene-2-carboxamide
CID 107932155
3-amino-5-bromo-N-(2,2-dimethylcyclopentyl)-1-benzothiophene-2-carboxamide
CID 114896684
3-amino-5-bromo-N-(2-methoxycyclopentyl)-1-benzothiophene-2-carboxamide
CID 114896565
3-amino-5-bromo-N-(1-methylcyclohexyl)-1-benzothiophene-2-carboxamide
CID 114896551
3-amino-5-bromo-N-cyclopentyl-N-methyl-1-benzothiophene-2-carboxamide
CID 114896397
3-amino-5-bromo-1-benzothiophene-2-carboxamide
CID 59656640
3-amino-5-methyl-N-(3-methylcyclohexyl)-1-benzothiophene-2-carboxamide
CID 107932175
3-amino-5-methyl-N-(1-oxothian-4-yl)-1-benzothiophene-2-carboxamide
CID 107932536
(3-amino-5-bromo-1-benzothiophen-2-yl)-pyrrolidin-1-ylmethanone
CID 114896311
3-amino-5-bromo-N-(3-methylbutan-2-yl)-1-benzothiophene-2-carboxamide
CID 114896388
3-amino-5-bromo-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide
CID 107854956

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-cyclopentyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-5-bromo-N-cyclopentyl-1-benzothiophene-2-carboxamide (CID 114896323) is 3-amino-5-bromo-N-cyclopentyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-bromo-N-cyclopentyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-bromo-N-cyclopentyl-1-benzothiophene-2-carboxamide is Nc1c(C(=O)NC2CCCC2)sc2ccc(Br)cc12.
What is the InChIKey of 3-amino-5-bromo-N-cyclopentyl-1-benzothiophene-2-carboxamide?
The InChIKey is PBKIBRKGNRBTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2OS/c15-8-5-6-11-10(7-8)12(16)13(19-11)14(18)17-9-3-1-2-4-9/h5-7,9H,1-4,16H2,(H,17,18).
What are the key properties of 3-amino-5-bromo-N-cyclopentyl-1-benzothiophene-2-carboxamide?
3-amino-5-bromo-N-cyclopentyl-1-benzothiophene-2-carboxamide has a molecular weight of 339.26 g/mol, XLogP of 3.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-N-cyclopentyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 114896323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).