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

C19H24N2O2S2 — CID 1350845

IUPACN,N-diethyl-2-(thiophene-2-carbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
SMILESCCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2c1CCCCC2
InChIInChI=1S/C19H24N2O2S2/c1-3-21(4-2)19(23)16-13-9-6-5-7-10-14(13)25-18(16)20-17(22)15-11-8-12-24-15/h8,11-12H,3-7,9-10H2,1-2H3,(H,20,22)
InChIKeyIAIUGBGDTKFMAU-UHFFFAOYSA-N
MW376.55 g/mol
LogP4.81
Rot. Bonds5

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

N,N-diethyl-2-(thiophene-2-carbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide (PubChem CID 1350845) has the molecular formula C19H24N2O2S2 and a molecular weight of 376.55 g/mol. Its IUPAC name is N,N-diethyl-2-(thiophene-2-carbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-(thiophene-2-carbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
PubChem CID1350845
Molecular FormulaC19H24N2O2S2
Molecular Weight376.55 g/mol
Exact Mass376.13
IUPAC NameN,N-diethyl-2-(thiophene-2-carbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
SMILESCCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2c1CCCCC2
InChIInChI=1S/C19H24N2O2S2/c1-3-21(4-2)19(23)16-13-9-6-5-7-10-14(13)25-18(16)20-17(22)15-11-8-12-24-15/h8,11-12H,3-7,9-10H2,1-2H3,(H,20,22)
InChIKeyIAIUGBGDTKFMAU-UHFFFAOYSA-N
XLogP4.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(thiophene-2-carbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide?
The IUPAC name of N,N-diethyl-2-(thiophene-2-carbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide (CID 1350845) is N,N-diethyl-2-(thiophene-2-carbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide.
What is the SMILES notation for N,N-diethyl-2-(thiophene-2-carbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide?
The canonical SMILES for N,N-diethyl-2-(thiophene-2-carbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide is CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2c1CCCCC2.
What is the InChIKey of N,N-diethyl-2-(thiophene-2-carbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide?
The InChIKey is IAIUGBGDTKFMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S2/c1-3-21(4-2)19(23)16-13-9-6-5-7-10-14(13)25-18(16)20-17(22)15-11-8-12-24-15/h8,11-12H,3-7,9-10H2,1-2H3,(H,20,22).
What are the key properties of N,N-diethyl-2-(thiophene-2-carbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide?
N,N-diethyl-2-(thiophene-2-carbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide has a molecular weight of 376.55 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(thiophene-2-carbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide is sourced from PubChem (CID 1350845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).