N-(2-aminophenyl)-3-methoxy-N-methylthiophene-2-carboxamide

C13H14N2O2S — CID 81117473

IUPACN-(2-aminophenyl)-3-methoxy-N-methylthiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)N(C)c1ccccc1N
InChIInChI=1S/C13H14N2O2S/c1-15(10-6-4-3-5-9(10)14)13(16)12-11(17-2)7-8-18-12/h3-8H,14H2,1-2H3
InChIKeyUOXFLNPNGMKSRS-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.62
Rot. Bonds3

About N-(2-aminophenyl)-3-methoxy-N-methylthiophene-2-carboxamide

N-(2-aminophenyl)-3-methoxy-N-methylthiophene-2-carboxamide (PubChem CID 81117473) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-methoxy-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-methoxy-N-methylthiophene-2-carboxamide
PubChem CID81117473
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC NameN-(2-aminophenyl)-3-methoxy-N-methylthiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)N(C)c1ccccc1N
InChIInChI=1S/C13H14N2O2S/c1-15(10-6-4-3-5-9(10)14)13(16)12-11(17-2)7-8-18-12/h3-8H,14H2,1-2H3
InChIKeyUOXFLNPNGMKSRS-UHFFFAOYSA-N
XLogP2.62
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-3-methoxythiophene-2-carboxamide
CID 81116979
N-[(2-aminophenyl)methyl]-3-methoxy-N-propan-2-ylthiophene-2-carboxamide
CID 81116677
3-methoxy-N-methyl-N-(6-phenylpyridazin-3-yl)thiophene-2-carboxamide
CID 71969766
N-[(2-bromophenyl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide
CID 78945937
N-(2-aminophenyl)-N-methyl-4-propylthiadiazole-5-carboxamide
CID 65206447
N-(2-aminoethyl)-N-benzyl-3-methoxythiophene-2-carboxamide
CID 104859465
potassium 3-methoxythiophene-2-carboxylate
CID 172727491
N-[(2S)-1-aminopropan-2-yl]-3-methoxythiophene-2-carboxamide
CID 120508214
(2S)-N-(2-aminophenyl)-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide
CID 143377610
N-(2-amino-5-chlorophenyl)-2-methoxy-N-methylbenzamide
CID 107465525
N-[(4-aminophenyl)methyl]-N-ethyl-3-methoxythiophene-2-carboxamide
CID 81116669
2-[(2-aminobenzoyl)-methylamino]benzoic acid
CID 12819851

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-methoxy-N-methylthiophene-2-carboxamide?
The IUPAC name of N-(2-aminophenyl)-3-methoxy-N-methylthiophene-2-carboxamide (CID 81117473) is N-(2-aminophenyl)-3-methoxy-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-3-methoxy-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-3-methoxy-N-methylthiophene-2-carboxamide is COc1ccsc1C(=O)N(C)c1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-3-methoxy-N-methylthiophene-2-carboxamide?
The InChIKey is UOXFLNPNGMKSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-15(10-6-4-3-5-9(10)14)13(16)12-11(17-2)7-8-18-12/h3-8H,14H2,1-2H3.
What are the key properties of N-(2-aminophenyl)-3-methoxy-N-methylthiophene-2-carboxamide?
N-(2-aminophenyl)-3-methoxy-N-methylthiophene-2-carboxamide has a molecular weight of 262.33 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-methoxy-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 81117473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).