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

C17H20N2OS — CID 116649780

IUPACN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NC2CCCc3cc(N)ccc32)sc1C
InChIInChI=1S/C17H20N2OS/c1-10-8-16(21-11(10)2)17(20)19-15-5-3-4-12-9-13(18)6-7-14(12)15/h6-9,15H,3-5,18H2,1-2H3,(H,19,20)
InChIKeyODVARYRHNLQIPS-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.75
Rot. Bonds2

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

N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dimethylthiophene-2-carboxamide (PubChem CID 116649780) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dimethylthiophene-2-carboxamide
PubChem CID116649780
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC NameN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NC2CCCc3cc(N)ccc32)sc1C
InChIInChI=1S/C17H20N2OS/c1-10-8-16(21-11(10)2)17(20)19-15-5-3-4-12-9-13(18)6-7-14(12)15/h6-9,15H,3-5,18H2,1-2H3,(H,19,20)
InChIKeyODVARYRHNLQIPS-UHFFFAOYSA-N
XLogP3.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dimethylthiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-5-bromo-4-methylthiophene-2-carboxamide
CID 116649864
3-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1,1-dimethylurea
CID 116650161
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-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrrole-2-carboxamide
CID 116649879
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-chloro-1H-pyrrole-2-carboxamide
CID 116649798
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-bromo-1H-pyrrole-2-carboxamide
CID 116649902
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-chloro-2-methylbenzamide
CID 82870824
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-3-methylbenzamide
CID 79723212
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(dimethylamino)propanamide
CID 116649806

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dimethylthiophene-2-carboxamide (CID 116649780) is N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dimethylthiophene-2-carboxamide is Cc1cc(C(=O)NC2CCCc3cc(N)ccc32)sc1C.
What is the InChIKey of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is ODVARYRHNLQIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-10-8-16(21-11(10)2)17(20)19-15-5-3-4-12-9-13(18)6-7-14(12)15/h6-9,15H,3-5,18H2,1-2H3,(H,19,20).
What are the key properties of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dimethylthiophene-2-carboxamide?
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dimethylthiophene-2-carboxamide has a molecular weight of 300.43 g/mol, XLogP of 3.75, 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)-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 116649780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).