4-chloro-6-methyl-N-pyrrolidin-3-yl-1-benzothiophene-2-carboxamide

C14H15ClN2OS — CID 145194329

IUPAC4-chloro-6-methyl-N-pyrrolidin-3-yl-1-benzothiophene-2-carboxamide
SMILESCc1cc(Cl)c2cc(C(=O)NC3CCNC3)sc2c1
InChIInChI=1S/C14H15ClN2OS/c1-8-4-11(15)10-6-13(19-12(10)5-8)14(18)17-9-2-3-16-7-9/h4-6,9,16H,2-3,7H2,1H3,(H,17,18)
InChIKeyMYOIXLPYAACRMT-UHFFFAOYSA-N
MW294.81 g/mol
LogP2.95
Rot. Bonds2

About 4-chloro-6-methyl-N-pyrrolidin-3-yl-1-benzothiophene-2-carboxamide

4-chloro-6-methyl-N-pyrrolidin-3-yl-1-benzothiophene-2-carboxamide (PubChem CID 145194329) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is 4-chloro-6-methyl-N-pyrrolidin-3-yl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-chloro-6-methyl-N-pyrrolidin-3-yl-1-benzothiophene-2-carboxamide
PubChem CID145194329
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC Name4-chloro-6-methyl-N-pyrrolidin-3-yl-1-benzothiophene-2-carboxamide
SMILESCc1cc(Cl)c2cc(C(=O)NC3CCNC3)sc2c1
InChIInChI=1S/C14H15ClN2OS/c1-8-4-11(15)10-6-13(19-12(10)5-8)14(18)17-9-2-3-16-7-9/h4-6,9,16H,2-3,7H2,1H3,(H,17,18)
InChIKeyMYOIXLPYAACRMT-UHFFFAOYSA-N
XLogP2.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-N-pyrrolidin-3-yl-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-chloro-6-methyl-N-pyrrolidin-3-yl-1-benzothiophene-2-carboxamide (CID 145194329) is 4-chloro-6-methyl-N-pyrrolidin-3-yl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-chloro-6-methyl-N-pyrrolidin-3-yl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-chloro-6-methyl-N-pyrrolidin-3-yl-1-benzothiophene-2-carboxamide is Cc1cc(Cl)c2cc(C(=O)NC3CCNC3)sc2c1.
What is the InChIKey of 4-chloro-6-methyl-N-pyrrolidin-3-yl-1-benzothiophene-2-carboxamide?
The InChIKey is MYOIXLPYAACRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS/c1-8-4-11(15)10-6-13(19-12(10)5-8)14(18)17-9-2-3-16-7-9/h4-6,9,16H,2-3,7H2,1H3,(H,17,18).
What are the key properties of 4-chloro-6-methyl-N-pyrrolidin-3-yl-1-benzothiophene-2-carboxamide?
4-chloro-6-methyl-N-pyrrolidin-3-yl-1-benzothiophene-2-carboxamide has a molecular weight of 294.81 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-N-pyrrolidin-3-yl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 145194329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).