N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

C15H17NOS2 — CID 3243142

IUPACN-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
SMILESO=C(NCc1cccs1)c1csc2c1CCCCC2
InChIInChI=1S/C15H17NOS2/c17-15(16-9-11-5-4-8-18-11)13-10-19-14-7-3-1-2-6-12(13)14/h4-5,8,10H,1-3,6-7,9H2,(H,16,17)
InChIKeyFAHGUATXASIQOI-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.01
Rot. Bonds3

About N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide (PubChem CID 3243142) has the molecular formula C15H17NOS2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
PubChem CID3243142
Molecular FormulaC15H17NOS2
Molecular Weight291.44 g/mol
Exact Mass291.08
IUPAC NameN-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
SMILESO=C(NCc1cccs1)c1csc2c1CCCCC2
InChIInChI=1S/C15H17NOS2/c17-15(16-9-11-5-4-8-18-11)13-10-19-14-7-3-1-2-6-12(13)14/h4-5,8,10H,1-3,6-7,9H2,(H,16,17)
InChIKeyFAHGUATXASIQOI-UHFFFAOYSA-N
XLogP4.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide?
The IUPAC name of N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide (CID 3243142) is N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide?
The canonical SMILES for N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide is O=C(NCc1cccs1)c1csc2c1CCCCC2.
What is the InChIKey of N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide?
The InChIKey is FAHGUATXASIQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS2/c17-15(16-9-11-5-4-8-18-11)13-10-19-14-7-3-1-2-6-12(13)14/h4-5,8,10H,1-3,6-7,9H2,(H,16,17).
What are the key properties of N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide?
N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide has a molecular weight of 291.44 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide is sourced from PubChem (CID 3243142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).