N-(2-methylsulfonylethyl)-1-benzothiophene-3-carboxamide

C12H13NO3S2 — CID 60545184

IUPACN-(2-methylsulfonylethyl)-1-benzothiophene-3-carboxamide
SMILESCS(=O)(=O)CCNC(=O)c1csc2ccccc12
InChIInChI=1S/C12H13NO3S2/c1-18(15,16)7-6-13-12(14)10-8-17-11-5-3-2-4-9(10)11/h2-5,8H,6-7H2,1H3,(H,13,14)
InChIKeyHDLPRNDHIFWLSD-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.68
Rot. Bonds4

About N-(2-methylsulfonylethyl)-1-benzothiophene-3-carboxamide

N-(2-methylsulfonylethyl)-1-benzothiophene-3-carboxamide (PubChem CID 60545184) has the molecular formula C12H13NO3S2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-(2-methylsulfonylethyl)-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfonylethyl)-1-benzothiophene-3-carboxamide
PubChem CID60545184
Molecular FormulaC12H13NO3S2
Molecular Weight283.37 g/mol
Exact Mass283.03
IUPAC NameN-(2-methylsulfonylethyl)-1-benzothiophene-3-carboxamide
SMILESCS(=O)(=O)CCNC(=O)c1csc2ccccc12
InChIInChI=1S/C12H13NO3S2/c1-18(15,16)7-6-13-12(14)10-8-17-11-5-3-2-4-9(10)11/h2-5,8H,6-7H2,1H3,(H,13,14)
InChIKeyHDLPRNDHIFWLSD-UHFFFAOYSA-N
XLogP1.68
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-1-benzothiophene-3-carboxamide
CID 13058563
N-[3-(methylamino)propyl]-1-benzothiophene-3-carboxamide
CID 55012748
N-(6-chlorohexyl)-1-benzothiophene-3-carboxamide
CID 114008448
N-(4-chloropentyl)-1-benzothiophene-3-carboxamide
CID 114147435
N-[(2S)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide
CID 83030979
N-(2,2-diethoxyethyl)-1-benzothiophene-3-carboxamide
CID 112723140
N-(3-amino-2-methylpropyl)-1-benzothiophene-3-carboxamide
CID 115271656
N-[2-(2-amino-2-oxoethoxy)ethyl]-1-benzothiophene-3-carboxamide
CID 122148632
N-[(4-fluorophenyl)methyl]-1-benzothiophene-3-carboxamide
CID 17173127
N-(2-hydroxy-4-methylpentyl)-1-benzothiophene-3-carboxamide
CID 103770892
N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-1-benzothiophene-3-carboxamide
CID 122152007
N-[(3-amino-2-methylphenyl)methyl]-1-benzothiophene-3-carboxamide
CID 103109994

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylethyl)-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(2-methylsulfonylethyl)-1-benzothiophene-3-carboxamide (CID 60545184) is N-(2-methylsulfonylethyl)-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(2-methylsulfonylethyl)-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(2-methylsulfonylethyl)-1-benzothiophene-3-carboxamide is CS(=O)(=O)CCNC(=O)c1csc2ccccc12.
What is the InChIKey of N-(2-methylsulfonylethyl)-1-benzothiophene-3-carboxamide?
The InChIKey is HDLPRNDHIFWLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3S2/c1-18(15,16)7-6-13-12(14)10-8-17-11-5-3-2-4-9(10)11/h2-5,8H,6-7H2,1H3,(H,13,14).
What are the key properties of N-(2-methylsulfonylethyl)-1-benzothiophene-3-carboxamide?
N-(2-methylsulfonylethyl)-1-benzothiophene-3-carboxamide has a molecular weight of 283.37 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylethyl)-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 60545184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).