N-(3-amino-3-sulfanylidenepropyl)-5-chloro-N-(2-methoxyethyl)thiophene-2-carboxamide

C11H15ClN2O2S2 — CID 63287168

IUPACN-(3-amino-3-sulfanylidenepropyl)-5-chloro-N-(2-methoxyethyl)thiophene-2-carboxamide
SMILESCOCCN(CCC(N)=S)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H15ClN2O2S2/c1-16-7-6-14(5-4-10(13)17)11(15)8-2-3-9(12)18-8/h2-3H,4-7H2,1H3,(H2,13,17)
InChIKeyKLUPUYWMNSCFMP-UHFFFAOYSA-N
MW306.84 g/mol
LogP2.17
Rot. Bonds7

About N-(3-amino-3-sulfanylidenepropyl)-5-chloro-N-(2-methoxyethyl)thiophene-2-carboxamide

N-(3-amino-3-sulfanylidenepropyl)-5-chloro-N-(2-methoxyethyl)thiophene-2-carboxamide (PubChem CID 63287168) has the molecular formula C11H15ClN2O2S2 and a molecular weight of 306.84 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-5-chloro-N-(2-methoxyethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-5-chloro-N-(2-methoxyethyl)thiophene-2-carboxamide
PubChem CID63287168
Molecular FormulaC11H15ClN2O2S2
Molecular Weight306.84 g/mol
Exact Mass306.03
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-5-chloro-N-(2-methoxyethyl)thiophene-2-carboxamide
SMILESCOCCN(CCC(N)=S)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H15ClN2O2S2/c1-16-7-6-14(5-4-10(13)17)11(15)8-2-3-9(12)18-8/h2-3H,4-7H2,1H3,(H2,13,17)
InChIKeyKLUPUYWMNSCFMP-UHFFFAOYSA-N
XLogP2.17
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-3-sulfanylidenepropyl)-3,5-dichloro-N-(2-methoxyethyl)benzamide
CID 63287704
N-(3-amino-3-sulfanylidenepropyl)-4-hydroxy-N-(2-methoxyethyl)benzamide
CID 63287434
N-(3-amino-3-sulfanylidenepropyl)-2,6-difluoro-N-(2-methoxyethyl)benzamide
CID 63287615
N-(3-amino-3-sulfanylidenepropyl)-4-iodo-N-(2-methoxyethyl)benzamide
CID 63287439
N-(3-amino-3-sulfanylidenepropyl)-2-hydroxy-N-(2-methoxyethyl)benzamide
CID 63287068
3-[(5-chlorothiophen-2-yl)methyl-(2-methoxyethyl)amino]propanethioamide
CID 55171134
N-(3-amino-3-sulfanylidenepropyl)-N-(2-methoxyethyl)-2,4,6-trimethylbenzamide
CID 63287161
N-(3-amino-3-sulfanylidenepropyl)-3,4-dihydroxy-N-(2-methoxyethyl)benzamide
CID 107728389
N-(3-amino-3-sulfanylidenepropyl)-5-bromo-N-(2-methoxyethyl)thiophene-3-carboxamide
CID 107961794
N-(3-amino-3-sulfanylidenepropyl)-3-hydroxy-N-(2-methoxyethyl)benzamide
CID 55172473
N-(3-amino-3-sulfanylidenepropyl)-2,5-difluoro-N-(2-methoxyethyl)benzamide
CID 63287621
N-(3-amino-3-sulfanylidenepropyl)-2,4-difluoro-N-(2-methoxyethyl)benzamide
CID 63287156

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-5-chloro-N-(2-methoxyethyl)thiophene-2-carboxamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-5-chloro-N-(2-methoxyethyl)thiophene-2-carboxamide (CID 63287168) is N-(3-amino-3-sulfanylidenepropyl)-5-chloro-N-(2-methoxyethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-5-chloro-N-(2-methoxyethyl)thiophene-2-carboxamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-5-chloro-N-(2-methoxyethyl)thiophene-2-carboxamide is COCCN(CCC(N)=S)C(=O)c1ccc(Cl)s1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-5-chloro-N-(2-methoxyethyl)thiophene-2-carboxamide?
The InChIKey is KLUPUYWMNSCFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S2/c1-16-7-6-14(5-4-10(13)17)11(15)8-2-3-9(12)18-8/h2-3H,4-7H2,1H3,(H2,13,17).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-5-chloro-N-(2-methoxyethyl)thiophene-2-carboxamide?
N-(3-amino-3-sulfanylidenepropyl)-5-chloro-N-(2-methoxyethyl)thiophene-2-carboxamide has a molecular weight of 306.84 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-5-chloro-N-(2-methoxyethyl)thiophene-2-carboxamide is sourced from PubChem (CID 63287168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).