3-amino-N-(2-methoxyethyl)-5-methyl-N-prop-2-enyl-1-benzothiophene-2-carboxamide

C16H20N2O2S — CID 107932610

IUPAC3-amino-N-(2-methoxyethyl)-5-methyl-N-prop-2-enyl-1-benzothiophene-2-carboxamide
SMILESC=CCN(CCOC)C(=O)c1sc2ccc(C)cc2c1N
InChIInChI=1S/C16H20N2O2S/c1-4-7-18(8-9-20-3)16(19)15-14(17)12-10-11(2)5-6-13(12)21-15/h4-6,10H,1,7-9,17H2,2-3H3
InChIKeyKCOQEWWYBOZLAP-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.07
Rot. Bonds6

About 3-amino-N-(2-methoxyethyl)-5-methyl-N-prop-2-enyl-1-benzothiophene-2-carboxamide

3-amino-N-(2-methoxyethyl)-5-methyl-N-prop-2-enyl-1-benzothiophene-2-carboxamide (PubChem CID 107932610) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 3-amino-N-(2-methoxyethyl)-5-methyl-N-prop-2-enyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-methoxyethyl)-5-methyl-N-prop-2-enyl-1-benzothiophene-2-carboxamide
PubChem CID107932610
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name3-amino-N-(2-methoxyethyl)-5-methyl-N-prop-2-enyl-1-benzothiophene-2-carboxamide
SMILESC=CCN(CCOC)C(=O)c1sc2ccc(C)cc2c1N
InChIInChI=1S/C16H20N2O2S/c1-4-7-18(8-9-20-3)16(19)15-14(17)12-10-11(2)5-6-13(12)21-15/h4-6,10H,1,7-9,17H2,2-3H3
InChIKeyKCOQEWWYBOZLAP-UHFFFAOYSA-N
XLogP3.07
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-amino-5-methyl-N,N-bis(prop-2-enyl)-1-benzothiophene-2-carboxamide
CID 107932072
3-amino-4-chloro-N-(2-methoxyethyl)-N-prop-2-enyl-1-benzothiophene-2-carboxamide
CID 103340529
3-amino-5-bromo-N-(2-hydroxyethyl)-N-prop-2-enyl-1-benzothiophene-2-carboxamide
CID 114896797
3-amino-N,5-dimethyl-N-(2-methylprop-2-enyl)-1-benzothiophene-2-carboxamide
CID 107932556
3-amino-N-butyl-N-(2-hydroxyethyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932257
3-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932442
3-amino-N-(4-methoxybutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932413
3-amino-N-(1-methoxy-2-methylpropan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932523
3-amino-N,5-dimethyl-N-pentyl-1-benzothiophene-2-carboxamide
CID 107932169
2-amino-N-(2-methoxyethyl)-N-prop-2-enyl-1,3-thiazole-4-carboxamide
CID 103338894
3-amino-N-(2-methoxypropyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932602
2-amino-3,5-dimethoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide
CID 103338349

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methoxyethyl)-5-methyl-N-prop-2-enyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-N-(2-methoxyethyl)-5-methyl-N-prop-2-enyl-1-benzothiophene-2-carboxamide (CID 107932610) is 3-amino-N-(2-methoxyethyl)-5-methyl-N-prop-2-enyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-methoxyethyl)-5-methyl-N-prop-2-enyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-methoxyethyl)-5-methyl-N-prop-2-enyl-1-benzothiophene-2-carboxamide is C=CCN(CCOC)C(=O)c1sc2ccc(C)cc2c1N.
What is the InChIKey of 3-amino-N-(2-methoxyethyl)-5-methyl-N-prop-2-enyl-1-benzothiophene-2-carboxamide?
The InChIKey is KCOQEWWYBOZLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-4-7-18(8-9-20-3)16(19)15-14(17)12-10-11(2)5-6-13(12)21-15/h4-6,10H,1,7-9,17H2,2-3H3.
What are the key properties of 3-amino-N-(2-methoxyethyl)-5-methyl-N-prop-2-enyl-1-benzothiophene-2-carboxamide?
3-amino-N-(2-methoxyethyl)-5-methyl-N-prop-2-enyl-1-benzothiophene-2-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methoxyethyl)-5-methyl-N-prop-2-enyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 107932610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).