N-(3-amino-4-methylphenyl)-3-ethylthiophene-2-carboxamide

C14H16N2OS — CID 79985935

IUPACN-(3-amino-4-methylphenyl)-3-ethylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)Nc1ccc(C)c(N)c1
InChIInChI=1S/C14H16N2OS/c1-3-10-6-7-18-13(10)14(17)16-11-5-4-9(2)12(15)8-11/h4-8H,3,15H2,1-2H3,(H,16,17)
InChIKeyLYZPRJBQDSPBBZ-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.45
Rot. Bonds3

About N-(3-amino-4-methylphenyl)-3-ethylthiophene-2-carboxamide

N-(3-amino-4-methylphenyl)-3-ethylthiophene-2-carboxamide (PubChem CID 79985935) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(3-amino-4-methylphenyl)-3-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-methylphenyl)-3-ethylthiophene-2-carboxamide
PubChem CID79985935
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC NameN-(3-amino-4-methylphenyl)-3-ethylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)Nc1ccc(C)c(N)c1
InChIInChI=1S/C14H16N2OS/c1-3-10-6-7-18-13(10)14(17)16-11-5-4-9(2)12(15)8-11/h4-8H,3,15H2,1-2H3,(H,16,17)
InChIKeyLYZPRJBQDSPBBZ-UHFFFAOYSA-N
XLogP3.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.45
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-4-methylphenyl)-3-chlorothiophene-2-carboxamide
CID 80644063
N-[4-(dimethylamino)-3-methylphenyl]-3-ethylthiophene-2-carboxamide
CID 60566814
N-(3-chloro-4-hydroxyphenyl)-3-ethylthiophene-2-carboxamide
CID 79976267
N-[4-(diethylamino)phenyl]-3-ethylthiophene-2-carboxamide
CID 60564330
N-(4-carbamothioylphenyl)-3-ethylthiophene-2-carboxamide
CID 79976248
N-(3-amino-4-chlorophenyl)-3-methylthiophene-2-carboxamide
CID 24697524
N-[4-(bromomethyl)phenyl]-3-ethylthiophene-2-carboxamide
CID 114310919
3-ethyl-N-(3-sulfamoylphenyl)thiophene-2-carboxamide
CID 78969242
N-(4-amino-3-methylphenyl)-3-chlorothiophene-2-carboxamide
CID 80644262
3-ethyl-N-[4-fluoro-3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]thiophene-2-carboxamide
CID 79975885
3-amino-N-(4-ethylphenyl)thiophene-2-carboxamide
CID 61089660

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylphenyl)-3-ethylthiophene-2-carboxamide?
The IUPAC name of N-(3-amino-4-methylphenyl)-3-ethylthiophene-2-carboxamide (CID 79985935) is N-(3-amino-4-methylphenyl)-3-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-amino-4-methylphenyl)-3-ethylthiophene-2-carboxamide?
The canonical SMILES for N-(3-amino-4-methylphenyl)-3-ethylthiophene-2-carboxamide is CCc1ccsc1C(=O)Nc1ccc(C)c(N)c1.
What is the InChIKey of N-(3-amino-4-methylphenyl)-3-ethylthiophene-2-carboxamide?
The InChIKey is LYZPRJBQDSPBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-3-10-6-7-18-13(10)14(17)16-11-5-4-9(2)12(15)8-11/h4-8H,3,15H2,1-2H3,(H,16,17).
What are the key properties of N-(3-amino-4-methylphenyl)-3-ethylthiophene-2-carboxamide?
N-(3-amino-4-methylphenyl)-3-ethylthiophene-2-carboxamide has a molecular weight of 260.36 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylphenyl)-3-ethylthiophene-2-carboxamide is sourced from PubChem (CID 79985935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).