3-chloro-6-ethyl-N-propan-2-yl-1-benzothiophene-2-carboxamide

C14H16ClNOS — CID 4526633

IUPAC3-chloro-6-ethyl-N-propan-2-yl-1-benzothiophene-2-carboxamide
SMILESCCc1ccc2c(Cl)c(C(=O)NC(C)C)sc2c1
InChIInChI=1S/C14H16ClNOS/c1-4-9-5-6-10-11(7-9)18-13(12(10)15)14(17)16-8(2)3/h5-8H,4H2,1-3H3,(H,16,17)
InChIKeyKAJDYHCJARXEIM-UHFFFAOYSA-N
MW281.81 g/mol
LogP4.26
Rot. Bonds3

About 3-chloro-6-ethyl-N-propan-2-yl-1-benzothiophene-2-carboxamide

3-chloro-6-ethyl-N-propan-2-yl-1-benzothiophene-2-carboxamide (PubChem CID 4526633) has the molecular formula C14H16ClNOS and a molecular weight of 281.81 g/mol. Its IUPAC name is 3-chloro-6-ethyl-N-propan-2-yl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-ethyl-N-propan-2-yl-1-benzothiophene-2-carboxamide
PubChem CID4526633
Molecular FormulaC14H16ClNOS
Molecular Weight281.81 g/mol
Exact Mass281.06
IUPAC Name3-chloro-6-ethyl-N-propan-2-yl-1-benzothiophene-2-carboxamide
SMILESCCc1ccc2c(Cl)c(C(=O)NC(C)C)sc2c1
InChIInChI=1S/C14H16ClNOS/c1-4-9-5-6-10-11(7-9)18-13(12(10)15)14(17)16-8(2)3/h5-8H,4H2,1-3H3,(H,16,17)
InChIKeyKAJDYHCJARXEIM-UHFFFAOYSA-N
XLogP4.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-ethyl-N-propan-2-yl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-6-ethyl-N-propan-2-yl-1-benzothiophene-2-carboxamide (CID 4526633) is 3-chloro-6-ethyl-N-propan-2-yl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-6-ethyl-N-propan-2-yl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-6-ethyl-N-propan-2-yl-1-benzothiophene-2-carboxamide is CCc1ccc2c(Cl)c(C(=O)NC(C)C)sc2c1.
What is the InChIKey of 3-chloro-6-ethyl-N-propan-2-yl-1-benzothiophene-2-carboxamide?
The InChIKey is KAJDYHCJARXEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNOS/c1-4-9-5-6-10-11(7-9)18-13(12(10)15)14(17)16-8(2)3/h5-8H,4H2,1-3H3,(H,16,17).
What are the key properties of 3-chloro-6-ethyl-N-propan-2-yl-1-benzothiophene-2-carboxamide?
3-chloro-6-ethyl-N-propan-2-yl-1-benzothiophene-2-carboxamide has a molecular weight of 281.81 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-ethyl-N-propan-2-yl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 4526633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).