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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Related Compounds

5-methyl-N-piperidin-3-yl-1-benzothiophene-2-carboxamide
CID 145194354
5-methyl-4-nitro-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride
CID 119452265
3-chloro-2-methyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 107098265
5-bromo-4-methyl-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 103866666
3-methyl-1-phenyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119450686
N-[(3S)-piperidin-3-yl]thieno[3,2-b]thiophene-5-carboxamide
CID 103866540
4-(4-fluorophenyl)-5-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride
CID 119454424
4,6-dimethyl-N-pyrrolidin-3-ylpyridine-2-carboxamide
CID 166178324
4-chloro-1-methyl-N-[(3S)-pyrrolidin-3-yl]pyrrole-2-carboxamide
CID 79688807
N-(azepan-3-yl)thieno[3,2-b]thiophene-5-carboxamide
CID 80745817
2,5-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689600
4,7-dibromo-N-piperidin-3-yl-1-benzothiophene-2-carboxamide
CID 145194357

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).