3-methyl-N-[3-(methylamino)-3-oxopropyl]-1-benzothiophene-2-carboxamide

C14H16N2O2S — CID 47068455

IUPAC3-methyl-N-[3-(methylamino)-3-oxopropyl]-1-benzothiophene-2-carboxamide
SMILESCNC(=O)CCNC(=O)c1sc2ccccc2c1C
InChIInChI=1S/C14H16N2O2S/c1-9-10-5-3-4-6-11(10)19-13(9)14(18)16-8-7-12(17)15-2/h3-6H,7-8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyJXWIMQSBDSHNFU-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.08
Rot. Bonds4

About 3-methyl-N-[3-(methylamino)-3-oxopropyl]-1-benzothiophene-2-carboxamide

3-methyl-N-[3-(methylamino)-3-oxopropyl]-1-benzothiophene-2-carboxamide (PubChem CID 47068455) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 3-methyl-N-[3-(methylamino)-3-oxopropyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[3-(methylamino)-3-oxopropyl]-1-benzothiophene-2-carboxamide
PubChem CID47068455
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name3-methyl-N-[3-(methylamino)-3-oxopropyl]-1-benzothiophene-2-carboxamide
SMILESCNC(=O)CCNC(=O)c1sc2ccccc2c1C
InChIInChI=1S/C14H16N2O2S/c1-9-10-5-3-4-6-11(10)19-13(9)14(18)16-8-7-12(17)15-2/h3-6H,7-8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyJXWIMQSBDSHNFU-UHFFFAOYSA-N
XLogP2.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 18160860
N-[2-(2-methoxyphenyl)ethyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 31115481
N-[2-(1H-indol-3-yl)ethyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 27645794
3-methyl-4-[(3-methyl-1-benzothiophene-2-carbonyl)amino]butanoic acid
CID 81064657
N-(furan-2-ylmethyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 8868004
dimethyl-[[4-[[(3-methyl-1-benzothiophene-2-carbonyl)amino]methyl]phenyl]methyl]azanium
CID 8533507
tert-butyl 4-[2-[(3-methyl-1-benzothiophene-2-carbonyl)amino]ethyl]piperazine-1-carboxylate
CID 55990263
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-methyl-1-benzothiophene-2-carboxamide
CID 104630064
3-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 55933192
N-[2-(furan-2-yl)-2-hydroxyethyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 110889129
2-[methyl-(3-methyl-1-benzothiophene-2-carbonyl)amino]acetic acid
CID 43241821
(2R)-3,3-dimethyl-2-[(3-methyl-1-benzothiophene-2-carbonyl)amino]butanoic acid
CID 103926754

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(methylamino)-3-oxopropyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-[3-(methylamino)-3-oxopropyl]-1-benzothiophene-2-carboxamide (CID 47068455) is 3-methyl-N-[3-(methylamino)-3-oxopropyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[3-(methylamino)-3-oxopropyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-[3-(methylamino)-3-oxopropyl]-1-benzothiophene-2-carboxamide is CNC(=O)CCNC(=O)c1sc2ccccc2c1C.
What is the InChIKey of 3-methyl-N-[3-(methylamino)-3-oxopropyl]-1-benzothiophene-2-carboxamide?
The InChIKey is JXWIMQSBDSHNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-9-10-5-3-4-6-11(10)19-13(9)14(18)16-8-7-12(17)15-2/h3-6H,7-8H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 3-methyl-N-[3-(methylamino)-3-oxopropyl]-1-benzothiophene-2-carboxamide?
3-methyl-N-[3-(methylamino)-3-oxopropyl]-1-benzothiophene-2-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(methylamino)-3-oxopropyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 47068455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).