5-methoxy-3-methyl-N-(2-methylpiperidin-3-yl)-1-benzothiophene-2-carboxamide

C17H22N2O2S — CID 120574129

IUPAC5-methoxy-3-methyl-N-(2-methylpiperidin-3-yl)-1-benzothiophene-2-carboxamide
SMILESCOc1ccc2sc(C(=O)NC3CCCNC3C)c(C)c2c1
InChIInChI=1S/C17H22N2O2S/c1-10-13-9-12(21-3)6-7-15(13)22-16(10)17(20)19-14-5-4-8-18-11(14)2/h6-7,9,11,14,18H,4-5,8H2,1-3H3,(H,19,20)
InChIKeyGGKZCMSIHLSWLB-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.09
Rot. Bonds3

About 5-methoxy-3-methyl-N-(2-methylpiperidin-3-yl)-1-benzothiophene-2-carboxamide

5-methoxy-3-methyl-N-(2-methylpiperidin-3-yl)-1-benzothiophene-2-carboxamide (PubChem CID 120574129) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is 5-methoxy-3-methyl-N-(2-methylpiperidin-3-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-3-methyl-N-(2-methylpiperidin-3-yl)-1-benzothiophene-2-carboxamide
PubChem CID120574129
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name5-methoxy-3-methyl-N-(2-methylpiperidin-3-yl)-1-benzothiophene-2-carboxamide
SMILESCOc1ccc2sc(C(=O)NC3CCCNC3C)c(C)c2c1
InChIInChI=1S/C17H22N2O2S/c1-10-13-9-12(21-3)6-7-15(13)22-16(10)17(20)19-14-5-4-8-18-11(14)2/h6-7,9,11,14,18H,4-5,8H2,1-3H3,(H,19,20)
InChIKeyGGKZCMSIHLSWLB-UHFFFAOYSA-N
XLogP3.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-3-methyl-N-(pyrrolidin-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 119512740
N-[2-(aminomethyl)cyclopentyl]-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide;hydrochloride
CID 119603360
cis-(1S,3R)-3-[(5-methoxy-3-methyl-1-benzothiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120676461
(2,3-dimethylpiperazin-1-yl)-(5-methoxy-3-methyl-1-benzothiophen-2-yl)methanone
CID 120570048
7-methoxy-2-methyl-N-(2-methylpiperidin-3-yl)quinoline-3-carboxamide;hydrochloride
CID 120573600
6-methoxy-N-(2-methylpiperidin-3-yl)-2H-chromene-3-carboxamide
CID 120574761
5-methoxy-3-methyl-N-[2-(methylamino)ethyl]-1-benzothiophene-2-carboxamide
CID 119502573
3-chloro-N-[(1R,2R)-2-[(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)amino]cyclohexyl]-6-methoxy-1-benzothiophene-2-carboxamide
CID 2377769
3-chloro-2-methyl-N-(2-methylpiperidin-3-yl)benzamide
CID 107098369
2-(4-ethoxyphenyl)-4-methyl-N-(2-methylpiperidin-3-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120574492
2,5-dichloro-N-(2-methylpiperidin-3-yl)thiophene-3-carboxamide
CID 106813442
2,3-dimethyl-N-(2-methylpiperidin-3-yl)benzamide
CID 79042389

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-methyl-N-(2-methylpiperidin-3-yl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-methoxy-3-methyl-N-(2-methylpiperidin-3-yl)-1-benzothiophene-2-carboxamide (CID 120574129) is 5-methoxy-3-methyl-N-(2-methylpiperidin-3-yl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-methoxy-3-methyl-N-(2-methylpiperidin-3-yl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-methoxy-3-methyl-N-(2-methylpiperidin-3-yl)-1-benzothiophene-2-carboxamide is COc1ccc2sc(C(=O)NC3CCCNC3C)c(C)c2c1.
What is the InChIKey of 5-methoxy-3-methyl-N-(2-methylpiperidin-3-yl)-1-benzothiophene-2-carboxamide?
The InChIKey is GGKZCMSIHLSWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-10-13-9-12(21-3)6-7-15(13)22-16(10)17(20)19-14-5-4-8-18-11(14)2/h6-7,9,11,14,18H,4-5,8H2,1-3H3,(H,19,20).
What are the key properties of 5-methoxy-3-methyl-N-(2-methylpiperidin-3-yl)-1-benzothiophene-2-carboxamide?
5-methoxy-3-methyl-N-(2-methylpiperidin-3-yl)-1-benzothiophene-2-carboxamide has a molecular weight of 318.44 g/mol, XLogP of 3.09, 3 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-(2-methylpiperidin-3-yl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 120574129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).