N-cycloheptyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C16H23NOS — CID 3620609

IUPACN-cycloheptyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESO=C(NC1CCCCCC1)c1csc2c1CCCC2
InChIInChI=1S/C16H23NOS/c18-16(17-12-7-3-1-2-4-8-12)14-11-19-15-10-6-5-9-13(14)15/h11-12H,1-10H2,(H,17,18)
InChIKeyBZXRTENAOUZJNR-UHFFFAOYSA-N
MW277.43 g/mol
LogP4.08
Rot. Bonds2

About N-cycloheptyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

N-cycloheptyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 3620609) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is N-cycloheptyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID3620609
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC NameN-cycloheptyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESO=C(NC1CCCCCC1)c1csc2c1CCCC2
InChIInChI=1S/C16H23NOS/c18-16(17-12-7-3-1-2-4-8-12)14-11-19-15-10-6-5-9-13(14)15/h11-12H,1-10H2,(H,17,18)
InChIKeyBZXRTENAOUZJNR-UHFFFAOYSA-N
XLogP4.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-cycloheptyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 3620609) is N-cycloheptyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-cycloheptyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is O=C(NC1CCCCCC1)c1csc2c1CCCC2.
What is the InChIKey of N-cycloheptyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is BZXRTENAOUZJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c18-16(17-12-7-3-1-2-4-8-12)14-11-19-15-10-6-5-9-13(14)15/h11-12H,1-10H2,(H,17,18).
What are the key properties of N-cycloheptyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
N-cycloheptyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 277.43 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 3620609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).