N-(3-cyanophenyl)thieno[3,2-b]thiophene-5-carboxamide

C14H8N2OS2 — CID 112733183

IUPACN-(3-cyanophenyl)thieno[3,2-b]thiophene-5-carboxamide
SMILESN#Cc1cccc(NC(=O)c2cc3sccc3s2)c1
InChIInChI=1S/C14H8N2OS2/c15-8-9-2-1-3-10(6-9)16-14(17)13-7-12-11(19-13)4-5-18-12/h1-7H,(H,16,17)
InChIKeySLEMBMBJAYEYGD-UHFFFAOYSA-N
MW284.37 g/mol
LogP4.09
Rot. Bonds2

About N-(3-cyanophenyl)thieno[3,2-b]thiophene-5-carboxamide

N-(3-cyanophenyl)thieno[3,2-b]thiophene-5-carboxamide (PubChem CID 112733183) has the molecular formula C14H8N2OS2 and a molecular weight of 284.37 g/mol. Its IUPAC name is N-(3-cyanophenyl)thieno[3,2-b]thiophene-5-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)thieno[3,2-b]thiophene-5-carboxamide
PubChem CID112733183
Molecular FormulaC14H8N2OS2
Molecular Weight284.37 g/mol
Exact Mass284.01
IUPAC NameN-(3-cyanophenyl)thieno[3,2-b]thiophene-5-carboxamide
SMILESN#Cc1cccc(NC(=O)c2cc3sccc3s2)c1
InChIInChI=1S/C14H8N2OS2/c15-8-9-2-1-3-10(6-9)16-14(17)13-7-12-11(19-13)4-5-18-12/h1-7H,(H,16,17)
InChIKeySLEMBMBJAYEYGD-UHFFFAOYSA-N
XLogP4.09
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)thieno[3,2-b]thiophene-5-carboxamide
CID 112733182
N-(4-amino-3-methylphenyl)thieno[3,2-b]thiophene-5-carboxamide
CID 80729190
N-(3-chloro-4-hydroxyphenyl)thieno[3,2-b]thiophene-5-carboxamide
CID 78955049
2-methyl-4-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid
CID 80722535
1-(3-cyanophenyl)-3-[3-[(3-cyanophenyl)carbamoylamino]phenyl]urea
CID 11101346
N-(3-cyanophenyl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 9192526
N-(3-cyanophenyl)-4-[4-[(3-cyanophenyl)carbamoyl]phenyl]benzamide
CID 90213286
N-(6-chloro-2-pyridinyl)thieno[3,2-b]thiophene-5-carboxamide
CID 113252495
N-(3-cyanophenyl)-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 63798841
N-(3-cyanophenyl)pyridine-4-carboxamide
CID 734714
S-methyl N-(3-cyanophenyl)carbamothioate
CID 134122988
N-(3-cyanophenyl)-4-iodobenzamide
CID 875242

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)thieno[3,2-b]thiophene-5-carboxamide?
The IUPAC name of N-(3-cyanophenyl)thieno[3,2-b]thiophene-5-carboxamide (CID 112733183) is N-(3-cyanophenyl)thieno[3,2-b]thiophene-5-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)thieno[3,2-b]thiophene-5-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)thieno[3,2-b]thiophene-5-carboxamide is N#Cc1cccc(NC(=O)c2cc3sccc3s2)c1.
What is the InChIKey of N-(3-cyanophenyl)thieno[3,2-b]thiophene-5-carboxamide?
The InChIKey is SLEMBMBJAYEYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2OS2/c15-8-9-2-1-3-10(6-9)16-14(17)13-7-12-11(19-13)4-5-18-12/h1-7H,(H,16,17).
What are the key properties of N-(3-cyanophenyl)thieno[3,2-b]thiophene-5-carboxamide?
N-(3-cyanophenyl)thieno[3,2-b]thiophene-5-carboxamide has a molecular weight of 284.37 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)thieno[3,2-b]thiophene-5-carboxamide is sourced from PubChem (CID 112733183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).