3-amino-5-methyl-N-morpholin-4-yl-1-benzothiophene-2-carboxamide

C14H17N3O2S — CID 107932493

IUPAC3-amino-5-methyl-N-morpholin-4-yl-1-benzothiophene-2-carboxamide
SMILESCc1ccc2sc(C(=O)NN3CCOCC3)c(N)c2c1
InChIInChI=1S/C14H17N3O2S/c1-9-2-3-11-10(8-9)12(15)13(20-11)14(18)16-17-4-6-19-7-5-17/h2-3,8H,4-7,15H2,1H3,(H,16,18)
InChIKeyXOUMURKVHAJACX-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.77
Rot. Bonds2

About 3-amino-5-methyl-N-morpholin-4-yl-1-benzothiophene-2-carboxamide

3-amino-5-methyl-N-morpholin-4-yl-1-benzothiophene-2-carboxamide (PubChem CID 107932493) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 3-amino-5-methyl-N-morpholin-4-yl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-methyl-N-morpholin-4-yl-1-benzothiophene-2-carboxamide
PubChem CID107932493
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name3-amino-5-methyl-N-morpholin-4-yl-1-benzothiophene-2-carboxamide
SMILESCc1ccc2sc(C(=O)NN3CCOCC3)c(N)c2c1
InChIInChI=1S/C14H17N3O2S/c1-9-2-3-11-10(8-9)12(15)13(20-11)14(18)16-17-4-6-19-7-5-17/h2-3,8H,4-7,15H2,1H3,(H,16,18)
InChIKeyXOUMURKVHAJACX-UHFFFAOYSA-N
XLogP1.77
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-morpholin-4-yl-1-benzothiophene-2-carboxamide
CID 83024638
(3-amino-5-methyl-1-benzothiophen-2-yl)-(3-methylmorpholin-4-yl)methanone
CID 107932193
3-amino-5-chloro-N-(4-methylpiperazin-1-yl)-1-benzothiophene-2-carboxamide
CID 83025313
3-amino-N-cycloheptyl-5-methyl-1-benzothiophene-2-carboxamide
CID 107932155
(3-amino-5-methyl-1-benzothiophen-2-yl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 107932214
(3-amino-5-methyl-1-benzothiophen-2-yl)-(4-aminopiperidin-1-yl)methanone
CID 107932238
3-amino-5-methyl-N-(2-methylsulfonylethyl)-1-benzothiophene-2-carboxamide
CID 107932222
(3-amino-5-methyl-1-benzothiophen-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 107932463
3-amino-N-[2-(ethylamino)-2-oxoethyl]-5-methyl-1-benzothiophene-2-carboxamide
CID 107932202
3-amino-N-(2-ethylbutyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932572
3-amino-N-(4-amino-4-oxobutyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932219
3-amino-5-methyl-N-(3-methylbutyl)-1-benzothiophene-2-carboxamide
CID 107932105

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methyl-N-morpholin-4-yl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-5-methyl-N-morpholin-4-yl-1-benzothiophene-2-carboxamide (CID 107932493) is 3-amino-5-methyl-N-morpholin-4-yl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-methyl-N-morpholin-4-yl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-methyl-N-morpholin-4-yl-1-benzothiophene-2-carboxamide is Cc1ccc2sc(C(=O)NN3CCOCC3)c(N)c2c1.
What is the InChIKey of 3-amino-5-methyl-N-morpholin-4-yl-1-benzothiophene-2-carboxamide?
The InChIKey is XOUMURKVHAJACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-9-2-3-11-10(8-9)12(15)13(20-11)14(18)16-17-4-6-19-7-5-17/h2-3,8H,4-7,15H2,1H3,(H,16,18).
What are the key properties of 3-amino-5-methyl-N-morpholin-4-yl-1-benzothiophene-2-carboxamide?
3-amino-5-methyl-N-morpholin-4-yl-1-benzothiophene-2-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methyl-N-morpholin-4-yl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 107932493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).