N-(3-amino-2,6-dimethylphenyl)-3-methylthiophene-2-carboxamide

C14H16N2OS — CID 24707080

IUPACN-(3-amino-2,6-dimethylphenyl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1c(C)ccc(N)c1C
InChIInChI=1S/C14H16N2OS/c1-8-4-5-11(15)10(3)12(8)16-14(17)13-9(2)6-7-18-13/h4-7H,15H2,1-3H3,(H,16,17)
InChIKeyNSDCABWVXUUGKX-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.51
Rot. Bonds2

About N-(3-amino-2,6-dimethylphenyl)-3-methylthiophene-2-carboxamide

N-(3-amino-2,6-dimethylphenyl)-3-methylthiophene-2-carboxamide (PubChem CID 24707080) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(3-amino-2,6-dimethylphenyl)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,6-dimethylphenyl)-3-methylthiophene-2-carboxamide
PubChem CID24707080
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC NameN-(3-amino-2,6-dimethylphenyl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1c(C)ccc(N)c1C
InChIInChI=1S/C14H16N2OS/c1-8-4-5-11(15)10(3)12(8)16-14(17)13-9(2)6-7-18-13/h4-7H,15H2,1-3H3,(H,16,17)
InChIKeyNSDCABWVXUUGKX-UHFFFAOYSA-N
XLogP3.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.51
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-(3-amino-4-methylphenyl)-3-methylthiophene-2-carboxamide
CID 24690358
N-(3-amino-6-fluoro-2-methylphenyl)-3-chlorothiophene-2-carboxamide
CID 114244691
(3-amino-2,6-dimethylphenyl)urea
CID 19820899
N-(3-amino-2,6-dimethylphenyl)-2,4,6-trimethylbenzamide
CID 24707284
N-(3-amino-2,6-dimethylphenyl)-2-hydroxybenzamide
CID 24708392
N-(3-amino-2,6-dimethylphenyl)-5-methylfuran-2-carboxamide
CID 28776911
N-(3-amino-2,6-dimethylphenyl)thiadiazole-5-carboxamide
CID 65216363
methyl N-(3-amino-2,6-dimethylphenyl)carbamate
CID 19857501
N-(4-amino-2-methylphenyl)-3-methylthiophene-2-carboxamide
CID 24696696
N-(3-amino-4-chlorophenyl)-3-methylthiophene-2-carboxamide
CID 24697524
N-(5-amino-2,4-difluorophenyl)-3-methylthiophene-2-carboxamide
CID 43549824
N-(2,3-dimethylphenyl)-3-methylthiophene-2-carboxamide
CID 7947060

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,6-dimethylphenyl)-3-methylthiophene-2-carboxamide?
The IUPAC name of N-(3-amino-2,6-dimethylphenyl)-3-methylthiophene-2-carboxamide (CID 24707080) is N-(3-amino-2,6-dimethylphenyl)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-amino-2,6-dimethylphenyl)-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-(3-amino-2,6-dimethylphenyl)-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1c(C)ccc(N)c1C.
What is the InChIKey of N-(3-amino-2,6-dimethylphenyl)-3-methylthiophene-2-carboxamide?
The InChIKey is NSDCABWVXUUGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-8-4-5-11(15)10(3)12(8)16-14(17)13-9(2)6-7-18-13/h4-7H,15H2,1-3H3,(H,16,17).
What are the key properties of N-(3-amino-2,6-dimethylphenyl)-3-methylthiophene-2-carboxamide?
N-(3-amino-2,6-dimethylphenyl)-3-methylthiophene-2-carboxamide has a molecular weight of 260.36 g/mol, XLogP of 3.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,6-dimethylphenyl)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 24707080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).