3-amino-N-[2-(ethylamino)-2-oxoethyl]-N,5-dimethyl-1-benzothiophene-2-carboxamide

C15H19N3O2S — CID 107932282

IUPAC3-amino-N-[2-(ethylamino)-2-oxoethyl]-N,5-dimethyl-1-benzothiophene-2-carboxamide
SMILESCCNC(=O)CN(C)C(=O)c1sc2ccc(C)cc2c1N
InChIInChI=1S/C15H19N3O2S/c1-4-17-12(19)8-18(3)15(20)14-13(16)10-7-9(2)5-6-11(10)21-14/h5-7H,4,8,16H2,1-3H3,(H,17,19)
InChIKeyMAAKIXHBZFFIEU-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.00
Rot. Bonds4

About 3-amino-N-[2-(ethylamino)-2-oxoethyl]-N,5-dimethyl-1-benzothiophene-2-carboxamide

3-amino-N-[2-(ethylamino)-2-oxoethyl]-N,5-dimethyl-1-benzothiophene-2-carboxamide (PubChem CID 107932282) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-amino-N-[2-(ethylamino)-2-oxoethyl]-N,5-dimethyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(ethylamino)-2-oxoethyl]-N,5-dimethyl-1-benzothiophene-2-carboxamide
PubChem CID107932282
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name3-amino-N-[2-(ethylamino)-2-oxoethyl]-N,5-dimethyl-1-benzothiophene-2-carboxamide
SMILESCCNC(=O)CN(C)C(=O)c1sc2ccc(C)cc2c1N
InChIInChI=1S/C15H19N3O2S/c1-4-17-12(19)8-18(3)15(20)14-13(16)10-7-9(2)5-6-11(10)21-14/h5-7H,4,8,16H2,1-3H3,(H,17,19)
InChIKeyMAAKIXHBZFFIEU-UHFFFAOYSA-N
XLogP2.00
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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

Analyze 3-amino-N-[2-(ethylamino)-2-oxoethyl]-N,5-dimethyl-1-benzothiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N,5-dimethyl-N-(2-methylprop-2-enyl)-1-benzothiophene-2-carboxamide
CID 107932556
3-amino-N-[2-(ethylamino)-2-oxoethyl]-5-methyl-1-benzothiophene-2-carboxamide
CID 107932202
3-amino-N,5-dimethyl-N-pentyl-1-benzothiophene-2-carboxamide
CID 107932169
3-amino-5-methyl-N,N-bis(prop-2-enyl)-1-benzothiophene-2-carboxamide
CID 107932072
3-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932442
3-amino-5-methyl-N-(2-methylsulfonylethyl)-1-benzothiophene-2-carboxamide
CID 107932222
3-amino-5-methyl-N-(3-methylbutyl)-1-benzothiophene-2-carboxamide
CID 107932105
3-amino-N-(4-amino-4-oxobutyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932219
3-amino-N-(5-amino-5-oxopentyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 106241429
3-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-5-methyl-1-benzothiophene-2-carboxamide
CID 107932269
3-amino-5-methyl-N-(2-pyrazol-1-ylethyl)-1-benzothiophene-2-carboxamide
CID 107932262
3-amino-N-(2-methoxypropyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932602

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(ethylamino)-2-oxoethyl]-N,5-dimethyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-N-[2-(ethylamino)-2-oxoethyl]-N,5-dimethyl-1-benzothiophene-2-carboxamide (CID 107932282) is 3-amino-N-[2-(ethylamino)-2-oxoethyl]-N,5-dimethyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(ethylamino)-2-oxoethyl]-N,5-dimethyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-(ethylamino)-2-oxoethyl]-N,5-dimethyl-1-benzothiophene-2-carboxamide is CCNC(=O)CN(C)C(=O)c1sc2ccc(C)cc2c1N.
What is the InChIKey of 3-amino-N-[2-(ethylamino)-2-oxoethyl]-N,5-dimethyl-1-benzothiophene-2-carboxamide?
The InChIKey is MAAKIXHBZFFIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-4-17-12(19)8-18(3)15(20)14-13(16)10-7-9(2)5-6-11(10)21-14/h5-7H,4,8,16H2,1-3H3,(H,17,19).
What are the key properties of 3-amino-N-[2-(ethylamino)-2-oxoethyl]-N,5-dimethyl-1-benzothiophene-2-carboxamide?
3-amino-N-[2-(ethylamino)-2-oxoethyl]-N,5-dimethyl-1-benzothiophene-2-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(ethylamino)-2-oxoethyl]-N,5-dimethyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 107932282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).