3-chloro-6-methyl-N-piperidin-1-yl-1-benzothiophene-2-carboxamide

C15H17ClN2OS — CID 17373888

IUPAC3-chloro-6-methyl-N-piperidin-1-yl-1-benzothiophene-2-carboxamide
SMILESCc1ccc2c(Cl)c(C(=O)NN3CCCCC3)sc2c1
InChIInChI=1S/C15H17ClN2OS/c1-10-5-6-11-12(9-10)20-14(13(11)16)15(19)17-18-7-3-2-4-8-18/h5-6,9H,2-4,7-8H2,1H3,(H,17,19)
InChIKeyUXLSZCPNHYVWIG-UHFFFAOYSA-N
MW308.83 g/mol
LogP3.99
Rot. Bonds2

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

3-chloro-6-methyl-N-piperidin-1-yl-1-benzothiophene-2-carboxamide (PubChem CID 17373888) has the molecular formula C15H17ClN2OS and a molecular weight of 308.83 g/mol. Its IUPAC name is 3-chloro-6-methyl-N-piperidin-1-yl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-methyl-N-piperidin-1-yl-1-benzothiophene-2-carboxamide
PubChem CID17373888
Molecular FormulaC15H17ClN2OS
Molecular Weight308.83 g/mol
Exact Mass308.08
IUPAC Name3-chloro-6-methyl-N-piperidin-1-yl-1-benzothiophene-2-carboxamide
SMILESCc1ccc2c(Cl)c(C(=O)NN3CCCCC3)sc2c1
InChIInChI=1S/C15H17ClN2OS/c1-10-5-6-11-12(9-10)20-14(13(11)16)15(19)17-18-7-3-2-4-8-18/h5-6,9H,2-4,7-8H2,1H3,(H,17,19)
InChIKeyUXLSZCPNHYVWIG-UHFFFAOYSA-N
XLogP3.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl-(3-chloro-6-methyl-1-benzothiophen-2-yl)methanone
CID 693034
3-chloro-N-(cyclododecylideneamino)-6-methyl-1-benzothiophene-2-carboxamide
CID 3555097
3-chloro-N-(cyclohexylideneamino)-6-methyl-1-benzothiophene-2-carboxamide
CID 5095032
3-chloro-N-(cyclohexylmethylideneamino)-6-methyl-1-benzothiophene-2-carboxamide
CID 3380759
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-chloro-6-methyl-1-benzothiophene-2-carboxamide
CID 91948603
3-chloro-N-(2-chlorophenyl)-6-methyl-1-benzothiophene-2-carboxamide
CID 896642
3-chloro-6-methyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1-benzothiophene-2-carboxamide
CID 34954611
3-chloro-6-methyl-N-(4H-triazol-5-yl)-1-benzothiophene-2-carboxamide
CID 58190066
3-chloro-6-methyl-N-(3-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide
CID 3579902
3-chloro-6-methyl-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide
CID 162670824
3-chloro-N-(4,6-dimethyl-2-pyridinyl)-6-methyl-1-benzothiophene-2-carboxamide
CID 2165647
3-chloro-6-methyl-N-undecyl-1-benzothiophene-2-carboxamide
CID 4207704

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-methyl-N-piperidin-1-yl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-6-methyl-N-piperidin-1-yl-1-benzothiophene-2-carboxamide (CID 17373888) is 3-chloro-6-methyl-N-piperidin-1-yl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-6-methyl-N-piperidin-1-yl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-6-methyl-N-piperidin-1-yl-1-benzothiophene-2-carboxamide is Cc1ccc2c(Cl)c(C(=O)NN3CCCCC3)sc2c1.
What is the InChIKey of 3-chloro-6-methyl-N-piperidin-1-yl-1-benzothiophene-2-carboxamide?
The InChIKey is UXLSZCPNHYVWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2OS/c1-10-5-6-11-12(9-10)20-14(13(11)16)15(19)17-18-7-3-2-4-8-18/h5-6,9H,2-4,7-8H2,1H3,(H,17,19).
What are the key properties of 3-chloro-6-methyl-N-piperidin-1-yl-1-benzothiophene-2-carboxamide?
3-chloro-6-methyl-N-piperidin-1-yl-1-benzothiophene-2-carboxamide has a molecular weight of 308.83 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-methyl-N-piperidin-1-yl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 17373888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).