3-amino-N,7-dimethyl-N-(oxan-4-yl)-1-benzothiophene-2-carboxamide

C16H20N2O2S — CID 107112879

IUPAC3-amino-N,7-dimethyl-N-(oxan-4-yl)-1-benzothiophene-2-carboxamide
SMILESCc1cccc2c(N)c(C(=O)N(C)C3CCOCC3)sc12
InChIInChI=1S/C16H20N2O2S/c1-10-4-3-5-12-13(17)15(21-14(10)12)16(19)18(2)11-6-8-20-9-7-11/h3-5,11H,6-9,17H2,1-2H3
InChIKeyXGYFJMVSYNVQGY-UHFFFAOYSA-N
MW304.41 g/mol
LogP3.04
Rot. Bonds2

About 3-amino-N,7-dimethyl-N-(oxan-4-yl)-1-benzothiophene-2-carboxamide

3-amino-N,7-dimethyl-N-(oxan-4-yl)-1-benzothiophene-2-carboxamide (PubChem CID 107112879) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is 3-amino-N,7-dimethyl-N-(oxan-4-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N,7-dimethyl-N-(oxan-4-yl)-1-benzothiophene-2-carboxamide
PubChem CID107112879
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC Name3-amino-N,7-dimethyl-N-(oxan-4-yl)-1-benzothiophene-2-carboxamide
SMILESCc1cccc2c(N)c(C(=O)N(C)C3CCOCC3)sc12
InChIInChI=1S/C16H20N2O2S/c1-10-4-3-5-12-13(17)15(21-14(10)12)16(19)18(2)11-6-8-20-9-7-11/h3-5,11H,6-9,17H2,1-2H3
InChIKeyXGYFJMVSYNVQGY-UHFFFAOYSA-N
XLogP3.04
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N,7-dimethyl-N-(thiolan-3-yl)-1-benzothiophene-2-carboxamide
CID 107112834
3-amino-N,N,7-trimethyl-1-benzothiophene-2-carboxamide
CID 107112801
3-amino-4-bromo-N-methyl-N-(oxan-4-yl)-1-benzothiophene-2-carboxamide
CID 114888997
3-amino-7-methyl-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 107112796
3-amino-7-methyl-N,N-bis(prop-2-enyl)-1-benzothiophene-2-carboxamide
CID 107112735
3-amino-N,7-dimethyl-1-benzothiophene-2-carboxamide
CID 107112750
3-amino-N-(cyclohexylmethyl)-7-methyl-1-benzothiophene-2-carboxamide
CID 107112840
2-amino-N-methyl-N-(oxan-4-yl)benzamide
CID 43610601
3-amino-2-hydroxy-N-methyl-N-(oxan-4-yl)benzamide
CID 113386399
4-amino-N,5-dimethyl-N-(oxan-4-yl)thiophene-2-carboxamide
CID 61103273
4-amino-2-(dimethylamino)-N-methyl-N-(oxan-4-yl)-1,3-thiazole-5-carboxamide
CID 116670500
2-amino-N-cyclopropyl-N,3-dimethylbenzamide
CID 43264479

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,7-dimethyl-N-(oxan-4-yl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-N,7-dimethyl-N-(oxan-4-yl)-1-benzothiophene-2-carboxamide (CID 107112879) is 3-amino-N,7-dimethyl-N-(oxan-4-yl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N,7-dimethyl-N-(oxan-4-yl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-N,7-dimethyl-N-(oxan-4-yl)-1-benzothiophene-2-carboxamide is Cc1cccc2c(N)c(C(=O)N(C)C3CCOCC3)sc12.
What is the InChIKey of 3-amino-N,7-dimethyl-N-(oxan-4-yl)-1-benzothiophene-2-carboxamide?
The InChIKey is XGYFJMVSYNVQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-10-4-3-5-12-13(17)15(21-14(10)12)16(19)18(2)11-6-8-20-9-7-11/h3-5,11H,6-9,17H2,1-2H3.
What are the key properties of 3-amino-N,7-dimethyl-N-(oxan-4-yl)-1-benzothiophene-2-carboxamide?
3-amino-N,7-dimethyl-N-(oxan-4-yl)-1-benzothiophene-2-carboxamide has a molecular weight of 304.41 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,7-dimethyl-N-(oxan-4-yl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 107112879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).