3-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-5-methyl-1-benzothiophene-2-carboxamide

C15H19N3O2S — CID 107932269

IUPAC3-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-5-methyl-1-benzothiophene-2-carboxamide
SMILESCc1ccc2sc(C(=O)NC(C)C(=O)N(C)C)c(N)c2c1
InChIInChI=1S/C15H19N3O2S/c1-8-5-6-11-10(7-8)12(16)13(21-11)14(19)17-9(2)15(20)18(3)4/h5-7,9H,16H2,1-4H3,(H,17,19)
InChIKeyUNNZXERFEXSILP-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.00
Rot. Bonds3

About 3-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-5-methyl-1-benzothiophene-2-carboxamide

3-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-5-methyl-1-benzothiophene-2-carboxamide (PubChem CID 107932269) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-5-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-5-methyl-1-benzothiophene-2-carboxamide
PubChem CID107932269
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name3-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-5-methyl-1-benzothiophene-2-carboxamide
SMILESCc1ccc2sc(C(=O)NC(C)C(=O)N(C)C)c(N)c2c1
InChIInChI=1S/C15H19N3O2S/c1-8-5-6-11-10(7-8)12(16)13(21-11)14(19)17-9(2)15(20)18(3)4/h5-7,9H,16H2,1-4H3,(H,17,19)
InChIKeyUNNZXERFEXSILP-UHFFFAOYSA-N
XLogP2.00
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(4-hydroxybutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932496
3-amino-N-(4-methoxybutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932413
3-amino-5-methyl-N-(4-methylhexan-2-yl)-1-benzothiophene-2-carboxamide
CID 107932423
3-amino-5-methyl-N-(3-methylbutyl)-1-benzothiophene-2-carboxamide
CID 107932105
3-amino-N-(2-methoxypropyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932602
3-amino-N-(2-ethylbutyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932572
3-amino-5-bromo-N-(3-methylbutan-2-yl)-1-benzothiophene-2-carboxamide
CID 114896388
3-amino-5-methyl-N-(2-methylsulfonylethyl)-1-benzothiophene-2-carboxamide
CID 107932222
3-amino-N-but-3-en-2-yl-6-methyl-1-benzothiophene-2-carboxamide
CID 113480669
3-amino-N-[2-(ethylamino)-2-oxoethyl]-5-methyl-1-benzothiophene-2-carboxamide
CID 107932202
3-amino-N-(4-amino-4-oxobutyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932219
3-amino-N-cycloheptyl-5-methyl-1-benzothiophene-2-carboxamide
CID 107932155

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-5-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-5-methyl-1-benzothiophene-2-carboxamide (CID 107932269) is 3-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-5-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-5-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-5-methyl-1-benzothiophene-2-carboxamide is Cc1ccc2sc(C(=O)NC(C)C(=O)N(C)C)c(N)c2c1.
What is the InChIKey of 3-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-5-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is UNNZXERFEXSILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-8-5-6-11-10(7-8)12(16)13(21-11)14(19)17-9(2)15(20)18(3)4/h5-7,9H,16H2,1-4H3,(H,17,19).
What are the key properties of 3-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-5-methyl-1-benzothiophene-2-carboxamide?
3-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-5-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-5-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 107932269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).