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

C14H16ClNOS2 — CID 113272683

IUPACN-[(2-chlorocyclohexyl)methyl]thieno[3,2-b]thiophene-5-carboxamide
SMILESO=C(NCC1CCCCC1Cl)c1cc2sccc2s1
InChIInChI=1S/C14H16ClNOS2/c15-10-4-2-1-3-9(10)8-16-14(17)13-7-12-11(19-13)5-6-18-12/h5-7,9-10H,1-4,8H2,(H,16,17)
InChIKeyRMQXYDMQLCFPKZ-UHFFFAOYSA-N
MW313.88 g/mol
LogP4.49
Rot. Bonds3

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

N-[(2-chlorocyclohexyl)methyl]thieno[3,2-b]thiophene-5-carboxamide (PubChem CID 113272683) has the molecular formula C14H16ClNOS2 and a molecular weight of 313.88 g/mol. Its IUPAC name is N-[(2-chlorocyclohexyl)methyl]thieno[3,2-b]thiophene-5-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorocyclohexyl)methyl]thieno[3,2-b]thiophene-5-carboxamide
PubChem CID113272683
Molecular FormulaC14H16ClNOS2
Molecular Weight313.88 g/mol
Exact Mass313.04
IUPAC NameN-[(2-chlorocyclohexyl)methyl]thieno[3,2-b]thiophene-5-carboxamide
SMILESO=C(NCC1CCCCC1Cl)c1cc2sccc2s1
InChIInChI=1S/C14H16ClNOS2/c15-10-4-2-1-3-9(10)8-16-14(17)13-7-12-11(19-13)5-6-18-12/h5-7,9-10H,1-4,8H2,(H,16,17)
InChIKeyRMQXYDMQLCFPKZ-UHFFFAOYSA-N
XLogP4.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.88
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorocyclohexyl)methyl]thieno[3,2-b]thiophene-5-carboxamide?
The IUPAC name of N-[(2-chlorocyclohexyl)methyl]thieno[3,2-b]thiophene-5-carboxamide (CID 113272683) is N-[(2-chlorocyclohexyl)methyl]thieno[3,2-b]thiophene-5-carboxamide.
What is the SMILES notation for N-[(2-chlorocyclohexyl)methyl]thieno[3,2-b]thiophene-5-carboxamide?
The canonical SMILES for N-[(2-chlorocyclohexyl)methyl]thieno[3,2-b]thiophene-5-carboxamide is O=C(NCC1CCCCC1Cl)c1cc2sccc2s1.
What is the InChIKey of N-[(2-chlorocyclohexyl)methyl]thieno[3,2-b]thiophene-5-carboxamide?
The InChIKey is RMQXYDMQLCFPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNOS2/c15-10-4-2-1-3-9(10)8-16-14(17)13-7-12-11(19-13)5-6-18-12/h5-7,9-10H,1-4,8H2,(H,16,17).
What are the key properties of N-[(2-chlorocyclohexyl)methyl]thieno[3,2-b]thiophene-5-carboxamide?
N-[(2-chlorocyclohexyl)methyl]thieno[3,2-b]thiophene-5-carboxamide has a molecular weight of 313.88 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorocyclohexyl)methyl]thieno[3,2-b]thiophene-5-carboxamide is sourced from PubChem (CID 113272683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).