3-amino-4-chloro-N-(2-methoxyethyl)-N-prop-2-enyl-1-benzothiophene-2-carboxamide

C15H17ClN2O2S — CID 103340529

IUPAC3-amino-4-chloro-N-(2-methoxyethyl)-N-prop-2-enyl-1-benzothiophene-2-carboxamide
SMILESC=CCN(CCOC)C(=O)c1sc2cccc(Cl)c2c1N
InChIInChI=1S/C15H17ClN2O2S/c1-3-7-18(8-9-20-2)15(19)14-13(17)12-10(16)5-4-6-11(12)21-14/h3-6H,1,7-9,17H2,2H3
InChIKeyRVVDMEBNHORYIT-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.41
Rot. Bonds6

About 3-amino-4-chloro-N-(2-methoxyethyl)-N-prop-2-enyl-1-benzothiophene-2-carboxamide

3-amino-4-chloro-N-(2-methoxyethyl)-N-prop-2-enyl-1-benzothiophene-2-carboxamide (PubChem CID 103340529) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 3-amino-4-chloro-N-(2-methoxyethyl)-N-prop-2-enyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-(2-methoxyethyl)-N-prop-2-enyl-1-benzothiophene-2-carboxamide
PubChem CID103340529
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name3-amino-4-chloro-N-(2-methoxyethyl)-N-prop-2-enyl-1-benzothiophene-2-carboxamide
SMILESC=CCN(CCOC)C(=O)c1sc2cccc(Cl)c2c1N
InChIInChI=1S/C15H17ClN2O2S/c1-3-7-18(8-9-20-2)15(19)14-13(17)12-10(16)5-4-6-11(12)21-14/h3-6H,1,7-9,17H2,2H3
InChIKeyRVVDMEBNHORYIT-UHFFFAOYSA-N
XLogP3.41
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 53.41
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-N-(2-methoxyethyl)-5-methyl-N-prop-2-enyl-1-benzothiophene-2-carboxamide
CID 107932610
3-amino-4-chloro-1-benzothiophene-2-carboxylic acid
CID 84791715
N-(2-methoxyethyl)-N-prop-2-enylthiophene-2-carboxamide
CID 103340492
2-chloro-N-(2-methoxyethyl)-N-prop-2-enylpyridine-3-carboxamide
CID 103338613
3-amino-4-bromo-N-(3-methoxypropyl)-N-methyl-1-benzothiophene-2-carboxamide
CID 114889134
2-amino-N-(2-methoxyethyl)-N-prop-2-enyl-1,3-thiazole-4-carboxamide
CID 103338894
2-amino-3,5-dimethoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide
CID 103338349
3-amino-4-bromo-N-(2-ethoxyethyl)-N-ethyl-1-benzothiophene-2-carboxamide
CID 114889154
3-amino-4-chloro-N-[1-(dimethylamino)propan-2-yl]-1-benzothiophene-2-carboxamide
CID 82950351
3-amino-7-methyl-N,N-bis(prop-2-enyl)-1-benzothiophene-2-carboxamide
CID 107112735
3-amino-5-methyl-N,N-bis(prop-2-enyl)-1-benzothiophene-2-carboxamide
CID 107932072
3-amino-N-(5-amino-5-oxopentyl)-4-chloro-1-benzothiophene-2-carboxamide
CID 106241425

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-(2-methoxyethyl)-N-prop-2-enyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-4-chloro-N-(2-methoxyethyl)-N-prop-2-enyl-1-benzothiophene-2-carboxamide (CID 103340529) is 3-amino-4-chloro-N-(2-methoxyethyl)-N-prop-2-enyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-chloro-N-(2-methoxyethyl)-N-prop-2-enyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-chloro-N-(2-methoxyethyl)-N-prop-2-enyl-1-benzothiophene-2-carboxamide is C=CCN(CCOC)C(=O)c1sc2cccc(Cl)c2c1N.
What is the InChIKey of 3-amino-4-chloro-N-(2-methoxyethyl)-N-prop-2-enyl-1-benzothiophene-2-carboxamide?
The InChIKey is RVVDMEBNHORYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-3-7-18(8-9-20-2)15(19)14-13(17)12-10(16)5-4-6-11(12)21-14/h3-6H,1,7-9,17H2,2H3.
What are the key properties of 3-amino-4-chloro-N-(2-methoxyethyl)-N-prop-2-enyl-1-benzothiophene-2-carboxamide?
3-amino-4-chloro-N-(2-methoxyethyl)-N-prop-2-enyl-1-benzothiophene-2-carboxamide has a molecular weight of 324.83 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-(2-methoxyethyl)-N-prop-2-enyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 103340529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).