3-amino-5-bromo-N-[(3-hydroxycyclobutyl)methyl]-N-methyl-1-benzothiophene-2-carboxamide

C15H17BrN2O2S — CID 114896669

IUPAC3-amino-5-bromo-N-[(3-hydroxycyclobutyl)methyl]-N-methyl-1-benzothiophene-2-carboxamide
SMILESCN(CC1CC(O)C1)C(=O)c1sc2ccc(Br)cc2c1N
InChIInChI=1S/C15H17BrN2O2S/c1-18(7-8-4-10(19)5-8)15(20)14-13(17)11-6-9(16)2-3-12(11)21-14/h2-3,6,8,10,19H,4-5,7,17H2,1H3
InChIKeyGWEDTAASCCVNMB-UHFFFAOYSA-N
MW369.28 g/mol
LogP3.09
Rot. Bonds3

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

3-amino-5-bromo-N-[(3-hydroxycyclobutyl)methyl]-N-methyl-1-benzothiophene-2-carboxamide (PubChem CID 114896669) has the molecular formula C15H17BrN2O2S and a molecular weight of 369.28 g/mol. Its IUPAC name is 3-amino-5-bromo-N-[(3-hydroxycyclobutyl)methyl]-N-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-bromo-N-[(3-hydroxycyclobutyl)methyl]-N-methyl-1-benzothiophene-2-carboxamide
PubChem CID114896669
Molecular FormulaC15H17BrN2O2S
Molecular Weight369.28 g/mol
Exact Mass368.02
IUPAC Name3-amino-5-bromo-N-[(3-hydroxycyclobutyl)methyl]-N-methyl-1-benzothiophene-2-carboxamide
SMILESCN(CC1CC(O)C1)C(=O)c1sc2ccc(Br)cc2c1N
InChIInChI=1S/C15H17BrN2O2S/c1-18(7-8-4-10(19)5-8)15(20)14-13(17)11-6-9(16)2-3-12(11)21-14/h2-3,6,8,10,19H,4-5,7,17H2,1H3
InChIKeyGWEDTAASCCVNMB-UHFFFAOYSA-N
XLogP3.09
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.28
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-1-benzothiophene-2-carboxamide
CID 114896646
3-amino-5-bromo-N-cyclopentyl-N-methyl-1-benzothiophene-2-carboxamide
CID 114896397
3-amino-5-bromo-N-cyclopropyl-N-propyl-1-benzothiophene-2-carboxamide
CID 114896400
3-amino-5-bromo-N-(cyclopropylmethyl)-N-prop-2-ynyl-1-benzothiophene-2-carboxamide
CID 114896710
3-amino-5-bromo-N,N-bis(cyanomethyl)-1-benzothiophene-2-carboxamide
CID 114896343
3-amino-5-bromo-N-methyl-N-(4-methylpentan-2-yl)-1-benzothiophene-2-carboxamide
CID 114896531
3-amino-5-bromo-1-benzothiophene-2-carboxamide
CID 59656640
3-amino-5-bromo-N-(2-hydroxyethyl)-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 114896524
3-amino-5-bromo-N-[2-(dimethylamino)propyl]-1-benzothiophene-2-carboxamide
CID 114896555
(3-amino-5-bromo-1-benzothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 114896329
(3-amino-5-bromo-1-benzothiophen-2-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 114896389
3-amino-6-bromo-N-cyclobutyl-N-methyl-1-benzothiophene-2-carboxamide
CID 114908151

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-[(3-hydroxycyclobutyl)methyl]-N-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-5-bromo-N-[(3-hydroxycyclobutyl)methyl]-N-methyl-1-benzothiophene-2-carboxamide (CID 114896669) is 3-amino-5-bromo-N-[(3-hydroxycyclobutyl)methyl]-N-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-bromo-N-[(3-hydroxycyclobutyl)methyl]-N-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-bromo-N-[(3-hydroxycyclobutyl)methyl]-N-methyl-1-benzothiophene-2-carboxamide is CN(CC1CC(O)C1)C(=O)c1sc2ccc(Br)cc2c1N.
What is the InChIKey of 3-amino-5-bromo-N-[(3-hydroxycyclobutyl)methyl]-N-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is GWEDTAASCCVNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2S/c1-18(7-8-4-10(19)5-8)15(20)14-13(17)11-6-9(16)2-3-12(11)21-14/h2-3,6,8,10,19H,4-5,7,17H2,1H3.
What are the key properties of 3-amino-5-bromo-N-[(3-hydroxycyclobutyl)methyl]-N-methyl-1-benzothiophene-2-carboxamide?
3-amino-5-bromo-N-[(3-hydroxycyclobutyl)methyl]-N-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 369.28 g/mol, XLogP of 3.09, 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-[(3-hydroxycyclobutyl)methyl]-N-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 114896669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).