N-[(Z)-(5-ethylthiophen-2-yl)methylideneamino]-2,5-dimethoxybenzenesulfonamide

C15H18N2O4S2 — CID 6170879

IUPACN-[(Z)-(5-ethylthiophen-2-yl)methylideneamino]-2,5-dimethoxybenzenesulfonamide
SMILESCCc1ccc(/C=N\NS(=O)(=O)c2cc(OC)ccc2OC)s1
InChIInChI=1S/C15H18N2O4S2/c1-4-12-6-7-13(22-12)10-16-17-23(18,19)15-9-11(20-2)5-8-14(15)21-3/h5-10,17H,4H2,1-3H3/b16-10-
InChIKeyXRALTXUGCJHFDX-YBEGLDIGSA-N
MW354.45 g/mol
LogP2.64
Rot. Bonds7

About N-[(Z)-(5-ethylthiophen-2-yl)methylideneamino]-2,5-dimethoxybenzenesulfonamide

N-[(Z)-(5-ethylthiophen-2-yl)methylideneamino]-2,5-dimethoxybenzenesulfonamide (PubChem CID 6170879) has the molecular formula C15H18N2O4S2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[(Z)-(5-ethylthiophen-2-yl)methylideneamino]-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-(5-ethylthiophen-2-yl)methylideneamino]-2,5-dimethoxybenzenesulfonamide
PubChem CID6170879
Molecular FormulaC15H18N2O4S2
Molecular Weight354.45 g/mol
Exact Mass354.07
IUPAC NameN-[(Z)-(5-ethylthiophen-2-yl)methylideneamino]-2,5-dimethoxybenzenesulfonamide
SMILESCCc1ccc(/C=N\NS(=O)(=O)c2cc(OC)ccc2OC)s1
InChIInChI=1S/C15H18N2O4S2/c1-4-12-6-7-13(22-12)10-16-17-23(18,19)15-9-11(20-2)5-8-14(15)21-3/h5-10,17H,4H2,1-3H3/b16-10-
InChIKeyXRALTXUGCJHFDX-YBEGLDIGSA-N
XLogP2.64
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2,5-dimethoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzenesulfonamide
CID 6131907
N-[(E)-(4-bromophenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide
CID 110516627
2,5-dimethoxy-N-[(E)-(2,3,6-trichlorophenyl)methylideneamino]benzenesulfonamide
CID 110516624
N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide
CID 17381305
2,5-dimethoxy-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide
CID 110516616
N-[(5-ethylthiophen-2-yl)methylideneamino]benzenesulfonamide
CID 4208152
2,5-dimethoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]benzenesulfonamide
CID 27524457
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2,5-dimethoxybenzenesulfonamide
CID 110516552
N-[(E)-(2-fluorophenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide
CID 110516512
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide
CID 135647812
N-[(E)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide
CID 110516571
2,5-dimethoxy-N-[(E)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]benzenesulfonamide
CID 135873349

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-ethylthiophen-2-yl)methylideneamino]-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-[(Z)-(5-ethylthiophen-2-yl)methylideneamino]-2,5-dimethoxybenzenesulfonamide (CID 6170879) is N-[(Z)-(5-ethylthiophen-2-yl)methylideneamino]-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[(Z)-(5-ethylthiophen-2-yl)methylideneamino]-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[(Z)-(5-ethylthiophen-2-yl)methylideneamino]-2,5-dimethoxybenzenesulfonamide is CCc1ccc(/C=N\NS(=O)(=O)c2cc(OC)ccc2OC)s1.
What is the InChIKey of N-[(Z)-(5-ethylthiophen-2-yl)methylideneamino]-2,5-dimethoxybenzenesulfonamide?
The InChIKey is XRALTXUGCJHFDX-YBEGLDIGSA-N. The full InChI is InChI=1S/C15H18N2O4S2/c1-4-12-6-7-13(22-12)10-16-17-23(18,19)15-9-11(20-2)5-8-14(15)21-3/h5-10,17H,4H2,1-3H3/b16-10-.
What are the key properties of N-[(Z)-(5-ethylthiophen-2-yl)methylideneamino]-2,5-dimethoxybenzenesulfonamide?
N-[(Z)-(5-ethylthiophen-2-yl)methylideneamino]-2,5-dimethoxybenzenesulfonamide has a molecular weight of 354.45 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-ethylthiophen-2-yl)methylideneamino]-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 6170879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).