5-methoxy-3-methyl-N-(pyrrolidin-2-ylmethyl)-1-benzothiophene-2-carboxamide

C16H20N2O2S — CID 119512740

IUPAC5-methoxy-3-methyl-N-(pyrrolidin-2-ylmethyl)-1-benzothiophene-2-carboxamide
SMILESCOc1ccc2sc(C(=O)NCC3CCCN3)c(C)c2c1
InChIInChI=1S/C16H20N2O2S/c1-10-13-8-12(20-2)5-6-14(13)21-15(10)16(19)18-9-11-4-3-7-17-11/h5-6,8,11,17H,3-4,7,9H2,1-2H3,(H,18,19)
InChIKeyWBWIAKJLZYPMRM-UHFFFAOYSA-N
MW304.41 g/mol
LogP2.70
Rot. Bonds4

About 5-methoxy-3-methyl-N-(pyrrolidin-2-ylmethyl)-1-benzothiophene-2-carboxamide

5-methoxy-3-methyl-N-(pyrrolidin-2-ylmethyl)-1-benzothiophene-2-carboxamide (PubChem CID 119512740) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is 5-methoxy-3-methyl-N-(pyrrolidin-2-ylmethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-3-methyl-N-(pyrrolidin-2-ylmethyl)-1-benzothiophene-2-carboxamide
PubChem CID119512740
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC Name5-methoxy-3-methyl-N-(pyrrolidin-2-ylmethyl)-1-benzothiophene-2-carboxamide
SMILESCOc1ccc2sc(C(=O)NCC3CCCN3)c(C)c2c1
InChIInChI=1S/C16H20N2O2S/c1-10-13-8-12(20-2)5-6-14(13)21-15(10)16(19)18-9-11-4-3-7-17-11/h5-6,8,11,17H,3-4,7,9H2,1-2H3,(H,18,19)
InChIKeyWBWIAKJLZYPMRM-UHFFFAOYSA-N
XLogP2.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-3-methyl-N-(pyrrolidin-2-ylmethyl)-1-benzothiophene-2-carboxamide;hydrochloride
CID 119510947
5-methoxy-3-methyl-N-(2-methylpiperidin-3-yl)-1-benzothiophene-2-carboxamide
CID 120574129
5-methoxy-3-methyl-N-[2-(methylamino)ethyl]-1-benzothiophene-2-carboxamide
CID 119502573
7-methoxy-2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoline-4-carboxamide
CID 119071112
N-(3-amino-2-methylpropyl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide
CID 119997904
5-methoxy-3-methyl-N-(3-piperazin-1-ylpropyl)-1-benzothiophene-2-carboxamide;hydrochloride
CID 119392997
N-(3-amino-2-methylpropyl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide;hydrochloride
CID 119997903
2-cyclopropyl-2-[(5-methoxy-3-methyl-1-benzothiophene-2-carbonyl)amino]acetic acid
CID 119213549
cis-(1S,3R)-3-[(5-methoxy-3-methyl-1-benzothiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120676461
3-methoxy-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119509893
3-amino-N-(cyclopentylmethyl)-6-methoxy-1-benzothiophene-2-carboxamide
CID 81300971
(5-methoxy-3-methyl-1-benzothiophen-2-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119545231

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-methyl-N-(pyrrolidin-2-ylmethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-methoxy-3-methyl-N-(pyrrolidin-2-ylmethyl)-1-benzothiophene-2-carboxamide (CID 119512740) is 5-methoxy-3-methyl-N-(pyrrolidin-2-ylmethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-methoxy-3-methyl-N-(pyrrolidin-2-ylmethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-methoxy-3-methyl-N-(pyrrolidin-2-ylmethyl)-1-benzothiophene-2-carboxamide is COc1ccc2sc(C(=O)NCC3CCCN3)c(C)c2c1.
What is the InChIKey of 5-methoxy-3-methyl-N-(pyrrolidin-2-ylmethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is WBWIAKJLZYPMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-10-13-8-12(20-2)5-6-14(13)21-15(10)16(19)18-9-11-4-3-7-17-11/h5-6,8,11,17H,3-4,7,9H2,1-2H3,(H,18,19).
What are the key properties of 5-methoxy-3-methyl-N-(pyrrolidin-2-ylmethyl)-1-benzothiophene-2-carboxamide?
5-methoxy-3-methyl-N-(pyrrolidin-2-ylmethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 304.41 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-methyl-N-(pyrrolidin-2-ylmethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 119512740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).