(NZ)-N-[(3-ethoxy-2-methoxyphenyl)methylidene]thiophene-2-sulfonamide

C14H15NO4S2 — CID 110518625

IUPAC(NZ)-N-[(3-ethoxy-2-methoxyphenyl)methylidene]thiophene-2-sulfonamide
SMILESCCOc1cccc(/C=N\S(=O)(=O)c2cccs2)c1OC
InChIInChI=1S/C14H15NO4S2/c1-3-19-12-7-4-6-11(14(12)18-2)10-15-21(16,17)13-8-5-9-20-13/h4-10H,3H2,1-2H3/b15-10-
InChIKeyREVGKMNDHHCECS-GDNBJRDFSA-N
MW325.41 g/mol
LogP2.96
Rot. Bonds6

About (NZ)-N-[(3-ethoxy-2-methoxyphenyl)methylidene]thiophene-2-sulfonamide

(NZ)-N-[(3-ethoxy-2-methoxyphenyl)methylidene]thiophene-2-sulfonamide (PubChem CID 110518625) has the molecular formula C14H15NO4S2 and a molecular weight of 325.41 g/mol. Its IUPAC name is (NZ)-N-[(3-ethoxy-2-methoxyphenyl)methylidene]thiophene-2-sulfonamide.

Molecular Properties

Compound Name(NZ)-N-[(3-ethoxy-2-methoxyphenyl)methylidene]thiophene-2-sulfonamide
PubChem CID110518625
Molecular FormulaC14H15NO4S2
Molecular Weight325.41 g/mol
Exact Mass325.04
IUPAC Name(NZ)-N-[(3-ethoxy-2-methoxyphenyl)methylidene]thiophene-2-sulfonamide
SMILESCCOc1cccc(/C=N\S(=O)(=O)c2cccs2)c1OC
InChIInChI=1S/C14H15NO4S2/c1-3-19-12-7-4-6-11(14(12)18-2)10-15-21(16,17)13-8-5-9-20-13/h4-10H,3H2,1-2H3/b15-10-
InChIKeyREVGKMNDHHCECS-GDNBJRDFSA-N
XLogP2.96
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(NZ)-N-[(3-ethoxy-2-methoxyphenyl)methylidene]benzenesulfonamide
CID 110518819
(NZ)-N-[(3,5-dichloro-4-ethoxyphenyl)methylidene]thiophene-2-sulfonamide
CID 110518583
(NZ)-N-[(3-bromo-4-ethoxyphenyl)methylidene]thiophene-2-sulfonamide
CID 110518572
(NZ)-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]thiophene-2-sulfonamide
CID 110518596
N-[(2-hydroxyphenyl)methylidene]thiophene-2-sulfonamide
CID 687527
N-[(Z)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 110535173
4-bromo-N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]benzenesulfonamide
CID 110516039
(NZ)-N-[(3-methoxy-5-nitro-4-propoxyphenyl)methylidene]thiophene-2-sulfonamide
CID 110518547
N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]aniline
CID 110504926
N-(thiophen-2-ylmethylidene)thiophene-2-sulfonamide
CID 693839
N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-4-methoxyaniline
CID 110509051
N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-2-methoxy-5-methylbenzenesulfonamide
CID 110518068

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(3-ethoxy-2-methoxyphenyl)methylidene]thiophene-2-sulfonamide?
The IUPAC name of (NZ)-N-[(3-ethoxy-2-methoxyphenyl)methylidene]thiophene-2-sulfonamide (CID 110518625) is (NZ)-N-[(3-ethoxy-2-methoxyphenyl)methylidene]thiophene-2-sulfonamide.
What is the SMILES notation for (NZ)-N-[(3-ethoxy-2-methoxyphenyl)methylidene]thiophene-2-sulfonamide?
The canonical SMILES for (NZ)-N-[(3-ethoxy-2-methoxyphenyl)methylidene]thiophene-2-sulfonamide is CCOc1cccc(/C=N\S(=O)(=O)c2cccs2)c1OC.
What is the InChIKey of (NZ)-N-[(3-ethoxy-2-methoxyphenyl)methylidene]thiophene-2-sulfonamide?
The InChIKey is REVGKMNDHHCECS-GDNBJRDFSA-N. The full InChI is InChI=1S/C14H15NO4S2/c1-3-19-12-7-4-6-11(14(12)18-2)10-15-21(16,17)13-8-5-9-20-13/h4-10H,3H2,1-2H3/b15-10-.
What are the key properties of (NZ)-N-[(3-ethoxy-2-methoxyphenyl)methylidene]thiophene-2-sulfonamide?
(NZ)-N-[(3-ethoxy-2-methoxyphenyl)methylidene]thiophene-2-sulfonamide has a molecular weight of 325.41 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(3-ethoxy-2-methoxyphenyl)methylidene]thiophene-2-sulfonamide is sourced from PubChem (CID 110518625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).