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

C15H17BrN2OS — CID 114896397

IUPAC3-amino-5-bromo-N-cyclopentyl-N-methyl-1-benzothiophene-2-carboxamide
SMILESCN(C(=O)c1sc2ccc(Br)cc2c1N)C1CCCC1
InChIInChI=1S/C15H17BrN2OS/c1-18(10-4-2-3-5-10)15(19)14-13(17)11-8-9(16)6-7-12(11)20-14/h6-8,10H,2-5,17H2,1H3
InChIKeyJCCPGZWYDRLVQR-UHFFFAOYSA-N
MW353.29 g/mol
LogP4.26
Rot. Bonds2

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

3-amino-5-bromo-N-cyclopentyl-N-methyl-1-benzothiophene-2-carboxamide (PubChem CID 114896397) has the molecular formula C15H17BrN2OS and a molecular weight of 353.29 g/mol. Its IUPAC name is 3-amino-5-bromo-N-cyclopentyl-N-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-bromo-N-cyclopentyl-N-methyl-1-benzothiophene-2-carboxamide
PubChem CID114896397
Molecular FormulaC15H17BrN2OS
Molecular Weight353.29 g/mol
Exact Mass352.02
IUPAC Name3-amino-5-bromo-N-cyclopentyl-N-methyl-1-benzothiophene-2-carboxamide
SMILESCN(C(=O)c1sc2ccc(Br)cc2c1N)C1CCCC1
InChIInChI=1S/C15H17BrN2OS/c1-18(10-4-2-3-5-10)15(19)14-13(17)11-8-9(16)6-7-12(11)20-14/h6-8,10H,2-5,17H2,1H3
InChIKeyJCCPGZWYDRLVQR-UHFFFAOYSA-N
XLogP4.26
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-6-bromo-N-cyclobutyl-N-methyl-1-benzothiophene-2-carboxamide
CID 114908151
3-amino-5-bromo-N-cyclopropyl-N-propyl-1-benzothiophene-2-carboxamide
CID 114896400
3-amino-5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-1-benzothiophene-2-carboxamide
CID 114896646
3-amino-5-bromo-N-cyclopentyl-1-benzothiophene-2-carboxamide
CID 114896323
3-amino-5-bromo-N-[(3-hydroxycyclobutyl)methyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 114896669
3-amino-5-bromo-1-benzothiophene-2-carboxamide
CID 59656640
3-amino-5-bromo-N-methyl-N-(4-methylpentan-2-yl)-1-benzothiophene-2-carboxamide
CID 114896531
(3-amino-5-bromo-1-benzothiophen-2-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 114896664
(3-amino-5-bromo-1-benzothiophen-2-yl)-pyrrolidin-1-ylmethanone
CID 114896311
3-amino-5-bromo-N-(cyclopropylmethyl)-N-prop-2-ynyl-1-benzothiophene-2-carboxamide
CID 114896710
3-amino-5-bromo-N-(2-methoxycyclopentyl)-1-benzothiophene-2-carboxamide
CID 114896565
3-amino-5-bromo-N,N-bis(cyanomethyl)-1-benzothiophene-2-carboxamide
CID 114896343

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-cyclopentyl-N-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-5-bromo-N-cyclopentyl-N-methyl-1-benzothiophene-2-carboxamide (CID 114896397) is 3-amino-5-bromo-N-cyclopentyl-N-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-bromo-N-cyclopentyl-N-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-bromo-N-cyclopentyl-N-methyl-1-benzothiophene-2-carboxamide is CN(C(=O)c1sc2ccc(Br)cc2c1N)C1CCCC1.
What is the InChIKey of 3-amino-5-bromo-N-cyclopentyl-N-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is JCCPGZWYDRLVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2OS/c1-18(10-4-2-3-5-10)15(19)14-13(17)11-8-9(16)6-7-12(11)20-14/h6-8,10H,2-5,17H2,1H3.
What are the key properties of 3-amino-5-bromo-N-cyclopentyl-N-methyl-1-benzothiophene-2-carboxamide?
3-amino-5-bromo-N-cyclopentyl-N-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 353.29 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-N-cyclopentyl-N-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 114896397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).