3-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-1-benzothiophene-2-carboxamide

C14H13ClN2O2S — CID 18163749

IUPAC3-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-1-benzothiophene-2-carboxamide
SMILESO=C(CNC(=O)c1sc2ccccc2c1Cl)NC1CC1
InChIInChI=1S/C14H13ClN2O2S/c15-12-9-3-1-2-4-10(9)20-13(12)14(19)16-7-11(18)17-8-5-6-8/h1-4,8H,5-7H2,(H,16,19)(H,17,18)
InChIKeyXQHMOUUSWJSBSN-UHFFFAOYSA-N
MW308.79 g/mol
LogP2.56
Rot. Bonds4

About 3-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-1-benzothiophene-2-carboxamide

3-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-1-benzothiophene-2-carboxamide (PubChem CID 18163749) has the molecular formula C14H13ClN2O2S and a molecular weight of 308.79 g/mol. Its IUPAC name is 3-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-1-benzothiophene-2-carboxamide
PubChem CID18163749
Molecular FormulaC14H13ClN2O2S
Molecular Weight308.79 g/mol
Exact Mass308.04
IUPAC Name3-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-1-benzothiophene-2-carboxamide
SMILESO=C(CNC(=O)c1sc2ccccc2c1Cl)NC1CC1
InChIInChI=1S/C14H13ClN2O2S/c15-12-9-3-1-2-4-10(9)20-13(12)14(19)16-7-11(18)17-8-5-6-8/h1-4,8H,5-7H2,(H,16,19)(H,17,18)
InChIKeyXQHMOUUSWJSBSN-UHFFFAOYSA-N
XLogP2.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-1-benzothiophene-2-carboxamide (CID 18163749) is 3-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-1-benzothiophene-2-carboxamide is O=C(CNC(=O)c1sc2ccccc2c1Cl)NC1CC1.
What is the InChIKey of 3-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-1-benzothiophene-2-carboxamide?
The InChIKey is XQHMOUUSWJSBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2S/c15-12-9-3-1-2-4-10(9)20-13(12)14(19)16-7-11(18)17-8-5-6-8/h1-4,8H,5-7H2,(H,16,19)(H,17,18).
What are the key properties of 3-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-1-benzothiophene-2-carboxamide?
3-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-1-benzothiophene-2-carboxamide has a molecular weight of 308.79 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 18163749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).