N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-5-bromo-4-methylthiophene-2-carboxamide

C16H17BrN2OS — CID 116649864

IUPACN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-5-bromo-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NC2CCCc3cc(N)ccc32)sc1Br
InChIInChI=1S/C16H17BrN2OS/c1-9-7-14(21-15(9)17)16(20)19-13-4-2-3-10-8-11(18)5-6-12(10)13/h5-8,13H,2-4,18H2,1H3,(H,19,20)
InChIKeyGYWDXYFUIYOZBB-UHFFFAOYSA-N
MW365.30 g/mol
LogP4.21
Rot. Bonds2

About N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-5-bromo-4-methylthiophene-2-carboxamide

N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-5-bromo-4-methylthiophene-2-carboxamide (PubChem CID 116649864) has the molecular formula C16H17BrN2OS and a molecular weight of 365.30 g/mol. Its IUPAC name is N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-5-bromo-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-5-bromo-4-methylthiophene-2-carboxamide
PubChem CID116649864
Molecular FormulaC16H17BrN2OS
Molecular Weight365.30 g/mol
Exact Mass364.02
IUPAC NameN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-5-bromo-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NC2CCCc3cc(N)ccc32)sc1Br
InChIInChI=1S/C16H17BrN2OS/c1-9-7-14(21-15(9)17)16(20)19-13-4-2-3-10-8-11(18)5-6-12(10)13/h5-8,13H,2-4,18H2,1H3,(H,19,20)
InChIKeyGYWDXYFUIYOZBB-UHFFFAOYSA-N
XLogP4.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dimethylthiophene-2-carboxamide
CID 116649780
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-bromo-1H-pyrrole-2-carboxamide
CID 116649902
3-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1,1-dimethylurea
CID 116650161
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-5-bromopyridine-3-carboxamide
CID 116649702
(Z)-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpent-2-enamide
CID 116649737
4-(aminomethyl)-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 122081059
5-amino-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 62304912
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-iodobenzamide
CID 116649897
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-iodobenzamide
CID 116649772
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-bromo-2-methylbenzamide
CID 79722653
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(dimethylamino)propanamide
CID 116649806
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrrole-2-carboxamide
CID 116649879

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-5-bromo-4-methylthiophene-2-carboxamide?
The IUPAC name of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-5-bromo-4-methylthiophene-2-carboxamide (CID 116649864) is N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-5-bromo-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-5-bromo-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-5-bromo-4-methylthiophene-2-carboxamide is Cc1cc(C(=O)NC2CCCc3cc(N)ccc32)sc1Br.
What is the InChIKey of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-5-bromo-4-methylthiophene-2-carboxamide?
The InChIKey is GYWDXYFUIYOZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2OS/c1-9-7-14(21-15(9)17)16(20)19-13-4-2-3-10-8-11(18)5-6-12(10)13/h5-8,13H,2-4,18H2,1H3,(H,19,20).
What are the key properties of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-5-bromo-4-methylthiophene-2-carboxamide?
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-5-bromo-4-methylthiophene-2-carboxamide has a molecular weight of 365.30 g/mol, XLogP of 4.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-5-bromo-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 116649864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).