3-chloro-N-cyclopropyl-1-benzothiophene-2-carboxamide

C12H10ClNOS — CID 673330

IUPAC3-chloro-N-cyclopropyl-1-benzothiophene-2-carboxamide
SMILESO=C(NC1CC1)c1sc2ccccc2c1Cl
InChIInChI=1S/C12H10ClNOS/c13-10-8-3-1-2-4-9(8)16-11(10)12(15)14-7-5-6-7/h1-4,7H,5-6H2,(H,14,15)
InChIKeyPCDXTTFCEPXRPZ-UHFFFAOYSA-N
MW251.74 g/mol
LogP3.45
Rot. Bonds2

About 3-chloro-N-cyclopropyl-1-benzothiophene-2-carboxamide

3-chloro-N-cyclopropyl-1-benzothiophene-2-carboxamide (PubChem CID 673330) has the molecular formula C12H10ClNOS and a molecular weight of 251.74 g/mol. Its IUPAC name is 3-chloro-N-cyclopropyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-cyclopropyl-1-benzothiophene-2-carboxamide
PubChem CID673330
Molecular FormulaC12H10ClNOS
Molecular Weight251.74 g/mol
Exact Mass251.02
IUPAC Name3-chloro-N-cyclopropyl-1-benzothiophene-2-carboxamide
SMILESO=C(NC1CC1)c1sc2ccccc2c1Cl
InChIInChI=1S/C12H10ClNOS/c13-10-8-3-1-2-4-9(8)16-11(10)12(15)14-7-5-6-7/h1-4,7H,5-6H2,(H,14,15)
InChIKeyPCDXTTFCEPXRPZ-UHFFFAOYSA-N
XLogP3.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.74
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclopropyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-cyclopropyl-1-benzothiophene-2-carboxamide (CID 673330) is 3-chloro-N-cyclopropyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-cyclopropyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-cyclopropyl-1-benzothiophene-2-carboxamide is O=C(NC1CC1)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-cyclopropyl-1-benzothiophene-2-carboxamide?
The InChIKey is PCDXTTFCEPXRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNOS/c13-10-8-3-1-2-4-9(8)16-11(10)12(15)14-7-5-6-7/h1-4,7H,5-6H2,(H,14,15).
What are the key properties of 3-chloro-N-cyclopropyl-1-benzothiophene-2-carboxamide?
3-chloro-N-cyclopropyl-1-benzothiophene-2-carboxamide has a molecular weight of 251.74 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclopropyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 673330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).