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

N-[2-[[(Hexahydro-2-oxo-1H-azepin-3-yl)amino]carbonyl]phenyl]benzo[b]thiophene-2-carboxamide
CID 2799722
Benzothienopyrimidinone deriv., 14a
CID 135927946
8-[(E)-2-cyclopropylethenyl]-2-[(dimethylamino)methyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one
CID 135566502
Benzothienopyrimidinone deriv., 14h
CID 135927950
Benzothienopyrimidinone deriv., 10b
CID 135856897
Benzothienopyrimidinone deriv., 9
CID 135927906
Benzothienopyrimidinone deriv., 10a
CID 135927911
Benzothienopyrimidinone deriv., 11a
CID 135927912
Benzothienopyrimidinone deriv., 14b
CID 135927920
Benzothienopyrimidinone deriv., 11b
CID 135927939
Benzothienopyrimidinone deriv., 12a
CID 135927940
Benzothienopyrimidinone deriv., 13a
CID 135927941

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).