N-(3-amino-4-methoxyphenyl)thieno[3,2-b]thiophene-5-carboxamide

C14H12N2O2S2 — CID 80744719

IUPACN-(3-amino-4-methoxyphenyl)thieno[3,2-b]thiophene-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3sccc3s2)cc1N
InChIInChI=1S/C14H12N2O2S2/c1-18-10-3-2-8(6-9(10)15)16-14(17)13-7-12-11(20-13)4-5-19-12/h2-7H,15H2,1H3,(H,16,17)
InChIKeyMVQFLDINOODIGO-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.81
Rot. Bonds3

About N-(3-amino-4-methoxyphenyl)thieno[3,2-b]thiophene-5-carboxamide

N-(3-amino-4-methoxyphenyl)thieno[3,2-b]thiophene-5-carboxamide (PubChem CID 80744719) has the molecular formula C14H12N2O2S2 and a molecular weight of 304.40 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)thieno[3,2-b]thiophene-5-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)thieno[3,2-b]thiophene-5-carboxamide
PubChem CID80744719
Molecular FormulaC14H12N2O2S2
Molecular Weight304.40 g/mol
Exact Mass304.03
IUPAC NameN-(3-amino-4-methoxyphenyl)thieno[3,2-b]thiophene-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3sccc3s2)cc1N
InChIInChI=1S/C14H12N2O2S2/c1-18-10-3-2-8(6-9(10)15)16-14(17)13-7-12-11(20-13)4-5-19-12/h2-7H,15H2,1H3,(H,16,17)
InChIKeyMVQFLDINOODIGO-UHFFFAOYSA-N
XLogP3.81
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-3-methylphenyl)thieno[3,2-b]thiophene-5-carboxamide
CID 80729190
N-(3-amino-4-methoxyphenyl)-3-bromothiophene-2-carboxamide
CID 63797635
2-methyl-5-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid
CID 80723700
2-methyl-4-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid
CID 80722535
N-(3-chloro-4-hydroxyphenyl)thieno[3,2-b]thiophene-5-carboxamide
CID 78955049
N-(3-amino-4-methoxyphenyl)-4-tert-butylbenzamide
CID 18524942
N-(3-bromophenyl)thieno[3,2-b]thiophene-5-carboxamide
CID 112733182
N-(3-amino-4-methoxyphenyl)-4-hydroxybenzamide
CID 43599919
thieno[3,2-b]thiophene-5-carbohydrazide
CID 2739789
N-(3-amino-4-methoxyphenyl)benzamide;molecular nitrogen
CID 174994775
N-(3-amino-4-methoxyphenyl)-3,5-dibromobenzamide
CID 107971090
N-[3-(hydroxymethyl)phenyl]thieno[3,2-b]thiophene-5-carboxamide
CID 78986764

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)thieno[3,2-b]thiophene-5-carboxamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)thieno[3,2-b]thiophene-5-carboxamide (CID 80744719) is N-(3-amino-4-methoxyphenyl)thieno[3,2-b]thiophene-5-carboxamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)thieno[3,2-b]thiophene-5-carboxamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)thieno[3,2-b]thiophene-5-carboxamide is COc1ccc(NC(=O)c2cc3sccc3s2)cc1N.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)thieno[3,2-b]thiophene-5-carboxamide?
The InChIKey is MVQFLDINOODIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S2/c1-18-10-3-2-8(6-9(10)15)16-14(17)13-7-12-11(20-13)4-5-19-12/h2-7H,15H2,1H3,(H,16,17).
What are the key properties of N-(3-amino-4-methoxyphenyl)thieno[3,2-b]thiophene-5-carboxamide?
N-(3-amino-4-methoxyphenyl)thieno[3,2-b]thiophene-5-carboxamide has a molecular weight of 304.40 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)thieno[3,2-b]thiophene-5-carboxamide is sourced from PubChem (CID 80744719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).