N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-methylbutanamide

C15H20N2OS — CID 2900309

IUPACN-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1sc2c(c1C#N)CCCCC2
InChIInChI=1S/C15H20N2OS/c1-10(2)8-14(18)17-15-12(9-16)11-6-4-3-5-7-13(11)19-15/h10H,3-8H2,1-2H3,(H,17,18)
InChIKeyNSJJFIAQYONCHO-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.87
Rot. Bonds3

About N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-methylbutanamide

N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-methylbutanamide (PubChem CID 2900309) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-methylbutanamide
PubChem CID2900309
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC NameN-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1sc2c(c1C#N)CCCCC2
InChIInChI=1S/C15H20N2OS/c1-10(2)8-14(18)17-15-12(9-16)11-6-4-3-5-7-13(11)19-15/h10H,3-8H2,1-2H3,(H,17,18)
InChIKeyNSJJFIAQYONCHO-UHFFFAOYSA-N
XLogP3.87
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-methylbutanamide with MolForge

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Related Compounds

hGCGR antagonist
CID 619101
4-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-4-oxobutanoic acid
CID 2887106
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide
CID 676715
N-(3-cyano-4,5-dimethylthiophen-2-yl)butanamide
CID 3160709
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)acetamide
CID 645308
N-(3-cyano-4,5-dimethyl-2-thienyl)cyclopentanecarboxamide
CID 903195
5-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-5-oxopentanoic acid
CID 4592654
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-methylpropanamide
CID 4613462
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
CID 290230
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropanecarboxamide
CID 694422
N-{3-Cyano-5,5,7,7-tetramethyl-4H,6H-thieno[2,3-C]pyridin-2-YL}propanamide
CID 741871
N-(3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2,2-dimethylpropanamide
CID 741873

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-methylbutanamide?
The IUPAC name of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-methylbutanamide (CID 2900309) is N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-methylbutanamide.
What is the SMILES notation for N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-methylbutanamide?
The canonical SMILES for N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-methylbutanamide is CC(C)CC(=O)Nc1sc2c(c1C#N)CCCCC2.
What is the InChIKey of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-methylbutanamide?
The InChIKey is NSJJFIAQYONCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-10(2)8-14(18)17-15-12(9-16)11-6-4-3-5-7-13(11)19-15/h10H,3-8H2,1-2H3,(H,17,18).
What are the key properties of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-methylbutanamide?
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-methylbutanamide has a molecular weight of 276.40 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-methylbutanamide is sourced from PubChem (CID 2900309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).