N-cycloheptyl-1-thiophen-2-ylcyclopentane-1-carboxamide

C17H25NOS — CID 42435475

IUPACN-cycloheptyl-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESO=C(NC1CCCCCC1)C1(c2cccs2)CCCC1
InChIInChI=1S/C17H25NOS/c19-16(18-14-8-3-1-2-4-9-14)17(11-5-6-12-17)15-10-7-13-20-15/h7,10,13-14H,1-6,8-9,11-12H2,(H,18,19)
InChIKeyPBFBZPIMXFMMTP-UHFFFAOYSA-N
MW291.46 g/mol
LogP4.40
Rot. Bonds3

About N-cycloheptyl-1-thiophen-2-ylcyclopentane-1-carboxamide

N-cycloheptyl-1-thiophen-2-ylcyclopentane-1-carboxamide (PubChem CID 42435475) has the molecular formula C17H25NOS and a molecular weight of 291.46 g/mol. Its IUPAC name is N-cycloheptyl-1-thiophen-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-thiophen-2-ylcyclopentane-1-carboxamide
PubChem CID42435475
Molecular FormulaC17H25NOS
Molecular Weight291.46 g/mol
Exact Mass291.17
IUPAC NameN-cycloheptyl-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESO=C(NC1CCCCCC1)C1(c2cccs2)CCCC1
InChIInChI=1S/C17H25NOS/c19-16(18-14-8-3-1-2-4-9-14)17(11-5-6-12-17)15-10-7-13-20-15/h7,10,13-14H,1-6,8-9,11-12H2,(H,18,19)
InChIKeyPBFBZPIMXFMMTP-UHFFFAOYSA-N
XLogP4.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-thiophen-2-ylcyclopentane-1-carboxamide?
The IUPAC name of N-cycloheptyl-1-thiophen-2-ylcyclopentane-1-carboxamide (CID 42435475) is N-cycloheptyl-1-thiophen-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-thiophen-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-cycloheptyl-1-thiophen-2-ylcyclopentane-1-carboxamide is O=C(NC1CCCCCC1)C1(c2cccs2)CCCC1.
What is the InChIKey of N-cycloheptyl-1-thiophen-2-ylcyclopentane-1-carboxamide?
The InChIKey is PBFBZPIMXFMMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NOS/c19-16(18-14-8-3-1-2-4-9-14)17(11-5-6-12-17)15-10-7-13-20-15/h7,10,13-14H,1-6,8-9,11-12H2,(H,18,19).
What are the key properties of N-cycloheptyl-1-thiophen-2-ylcyclopentane-1-carboxamide?
N-cycloheptyl-1-thiophen-2-ylcyclopentane-1-carboxamide has a molecular weight of 291.46 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-thiophen-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 42435475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).