N-[(E)-(2-propoxyphenyl)methylideneamino]thiophene-2-sulfonamide

C14H16N2O3S2 — CID 110518275

IUPACN-[(E)-(2-propoxyphenyl)methylideneamino]thiophene-2-sulfonamide
SMILESCCCOc1ccccc1/C=N/NS(=O)(=O)c1cccs1
InChIInChI=1S/C14H16N2O3S2/c1-2-9-19-13-7-4-3-6-12(13)11-15-16-21(17,18)14-8-5-10-20-14/h3-8,10-11,16H,2,9H2,1H3/b15-11+
InChIKeyBLWOVUCGDCPUGN-RVDMUPIBSA-N
MW324.43 g/mol
LogP2.85
Rot. Bonds7

About N-[(E)-(2-propoxyphenyl)methylideneamino]thiophene-2-sulfonamide

N-[(E)-(2-propoxyphenyl)methylideneamino]thiophene-2-sulfonamide (PubChem CID 110518275) has the molecular formula C14H16N2O3S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[(E)-(2-propoxyphenyl)methylideneamino]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(E)-(2-propoxyphenyl)methylideneamino]thiophene-2-sulfonamide
PubChem CID110518275
Molecular FormulaC14H16N2O3S2
Molecular Weight324.43 g/mol
Exact Mass324.06
IUPAC NameN-[(E)-(2-propoxyphenyl)methylideneamino]thiophene-2-sulfonamide
SMILESCCCOc1ccccc1/C=N/NS(=O)(=O)c1cccs1
InChIInChI=1S/C14H16N2O3S2/c1-2-9-19-13-7-4-3-6-12(13)11-15-16-21(17,18)14-8-5-10-20-14/h3-8,10-11,16H,2,9H2,1H3/b15-11+
InChIKeyBLWOVUCGDCPUGN-RVDMUPIBSA-N
XLogP2.85
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(2-propoxyphenyl)methylideneamino]benzenesulfonamide
CID 6116874
N-[(2-ethoxyphenyl)methylideneamino]benzenesulfonamide
CID 2643075
1,3-bis[(E)-(2-propoxyphenyl)methylideneamino]urea
CID 5332460
N-[(E)-(2-chloro-3-hydroxy-4-methoxyphenyl)methylideneamino]thiophene-2-sulfonamide
CID 110518258
4-ethoxy-N-[(2-ethoxyphenyl)methylideneamino]benzenesulfonamide
CID 2643189
2-oxo-N-[(E)-(2-propoxyphenyl)methylideneamino]-3H-1,3-benzoxazole-6-sulfonamide
CID 110518431
N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]thiophene-2-sulfonamide
CID 136873643
N-[(E)-(3-methylthiophen-2-yl)methylideneamino]thiophene-2-sulfonamide
CID 110518160
N-[(E)-furan-2-ylmethylideneamino]thiophene-2-sulfonamide
CID 12704250
N-[(E)-(2,6-dichlorophenyl)methylideneamino]thiophene-2-sulfonamide
CID 12704246
N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide
CID 110509597
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-sulfonamide
CID 136873667

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-propoxyphenyl)methylideneamino]thiophene-2-sulfonamide?
The IUPAC name of N-[(E)-(2-propoxyphenyl)methylideneamino]thiophene-2-sulfonamide (CID 110518275) is N-[(E)-(2-propoxyphenyl)methylideneamino]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(E)-(2-propoxyphenyl)methylideneamino]thiophene-2-sulfonamide?
The canonical SMILES for N-[(E)-(2-propoxyphenyl)methylideneamino]thiophene-2-sulfonamide is CCCOc1ccccc1/C=N/NS(=O)(=O)c1cccs1.
What is the InChIKey of N-[(E)-(2-propoxyphenyl)methylideneamino]thiophene-2-sulfonamide?
The InChIKey is BLWOVUCGDCPUGN-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H16N2O3S2/c1-2-9-19-13-7-4-3-6-12(13)11-15-16-21(17,18)14-8-5-10-20-14/h3-8,10-11,16H,2,9H2,1H3/b15-11+.
What are the key properties of N-[(E)-(2-propoxyphenyl)methylideneamino]thiophene-2-sulfonamide?
N-[(E)-(2-propoxyphenyl)methylideneamino]thiophene-2-sulfonamide has a molecular weight of 324.43 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-propoxyphenyl)methylideneamino]thiophene-2-sulfonamide is sourced from PubChem (CID 110518275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).