N-(4-amino-3-methylphenyl)-4,5-dimethylthiophene-2-carboxamide

C14H16N2OS — CID 65237624

IUPACN-(4-amino-3-methylphenyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cc(C)c(C)s2)ccc1N
InChIInChI=1S/C14H16N2OS/c1-8-7-13(18-10(8)3)14(17)16-11-4-5-12(15)9(2)6-11/h4-7H,15H2,1-3H3,(H,16,17)
InChIKeyYHCARINMZMRUSL-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.51
Rot. Bonds2

About N-(4-amino-3-methylphenyl)-4,5-dimethylthiophene-2-carboxamide

N-(4-amino-3-methylphenyl)-4,5-dimethylthiophene-2-carboxamide (PubChem CID 65237624) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(4-amino-3-methylphenyl)-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3-methylphenyl)-4,5-dimethylthiophene-2-carboxamide
PubChem CID65237624
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC NameN-(4-amino-3-methylphenyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cc(C)c(C)s2)ccc1N
InChIInChI=1S/C14H16N2OS/c1-8-7-13(18-10(8)3)14(17)16-11-4-5-12(15)9(2)6-11/h4-7H,15H2,1-3H3,(H,16,17)
InChIKeyYHCARINMZMRUSL-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-ethylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 62057931
N-(3-aminophenyl)-4,5-dimethylthiophene-2-carboxamide
CID 62057768
N-(4-amino-3-bromophenyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 82862298
4-amino-N-(3-bromo-4-methylphenyl)-5-methylthiophene-2-carboxamide
CID 63333055
N-(4-amino-3-methylphenyl)thieno[3,2-b]thiophene-5-carboxamide
CID 80729190
N-(3-carbamoylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 78779650
N-(4-ethylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 31494324
4-amino-N-(3-chloro-4-methylphenyl)-5-methylthiophene-2-carboxamide
CID 61091195
4-amino-N-(3-fluoro-4-methylphenyl)-5-methylthiophene-2-carboxamide
CID 61090591
4-amino-N-[3-(dimethylamino)-4-methylphenyl]-5-methylthiophene-2-carboxamide
CID 115375794
4-amino-5-methyl-N-pyridin-4-ylthiophene-2-carboxamide
CID 61089790
N-(3-methoxyphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 31505872

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-methylphenyl)-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-(4-amino-3-methylphenyl)-4,5-dimethylthiophene-2-carboxamide (CID 65237624) is N-(4-amino-3-methylphenyl)-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-amino-3-methylphenyl)-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-(4-amino-3-methylphenyl)-4,5-dimethylthiophene-2-carboxamide is Cc1cc(NC(=O)c2cc(C)c(C)s2)ccc1N.
What is the InChIKey of N-(4-amino-3-methylphenyl)-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is YHCARINMZMRUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-8-7-13(18-10(8)3)14(17)16-11-4-5-12(15)9(2)6-11/h4-7H,15H2,1-3H3,(H,16,17).
What are the key properties of N-(4-amino-3-methylphenyl)-4,5-dimethylthiophene-2-carboxamide?
N-(4-amino-3-methylphenyl)-4,5-dimethylthiophene-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-(4-amino-3-methylphenyl)-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 65237624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).