N-[(E)-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]naphthalene-2-sulfonamide

C25H27N3O6S — CID 35779863

IUPACN-[(E)-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]naphthalene-2-sulfonamide
SMILESCCOc1cc(/C=N/NS(=O)(=O)c2ccc3ccccc3c2)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C25H27N3O6S/c1-2-33-24-15-19(7-10-23(24)34-18-25(29)28-11-13-32-14-12-28)17-26-27-35(30,31)22-9-8-20-5-3-4-6-21(20)16-22/h3-10,15-17,27H,2,11-14,18H2,1H3/b26-17+
InChIKeyCXOUCGBKDIDXTL-YZSQISJMSA-N
MW497.57 g/mol
LogP2.79
Rot. Bonds9

About N-[(E)-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]naphthalene-2-sulfonamide

N-[(E)-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]naphthalene-2-sulfonamide (PubChem CID 35779863) has the molecular formula C25H27N3O6S and a molecular weight of 497.57 g/mol. Its IUPAC name is N-[(E)-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(E)-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]naphthalene-2-sulfonamide
PubChem CID35779863
Molecular FormulaC25H27N3O6S
Molecular Weight497.57 g/mol
Exact Mass497.16
IUPAC NameN-[(E)-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]naphthalene-2-sulfonamide
SMILESCCOc1cc(/C=N/NS(=O)(=O)c2ccc3ccccc3c2)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C25H27N3O6S/c1-2-33-24-15-19(7-10-23(24)34-18-25(29)28-11-13-32-14-12-28)17-26-27-35(30,31)22-9-8-20-5-3-4-6-21(20)16-22/h3-10,15-17,27H,2,11-14,18H2,1H3/b26-17+
InChIKeyCXOUCGBKDIDXTL-YZSQISJMSA-N
XLogP2.79
TPSA106.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.57
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[2-ethoxy-4-[(E)-hydroxyiminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 91689789
N-[(Z)-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-morpholin-4-ylacetamide
CID 126018159
4-bromo-N-[(E)-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzamide
CID 126020485
N-[(Z)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]naphthalene-2-carboxamide
CID 6058236
1-[(Z)-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-3-[2-(trifluoromethyl)phenyl]thiourea
CID 6217554
2-[4-[(E)-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-ethoxyphenoxy]-1-morpholin-4-ylethanone
CID 126211379
N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]naphthalene-2-sulfonamide
CID 3813802
3-[[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-phenylquinazolin-4-one
CID 126405385
2-[2-ethoxy-4-[(E)-2-nitroethenyl]phenoxy]-1-morpholin-4-ylethanone
CID 954014
3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 5169130
N-(3-chloro-2-methylphenyl)-N'-[(Z)-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]pentanediamide
CID 126168992
2-(2-ethoxyphenoxy)-N-[(Z)-naphthalen-2-ylmethylideneamino]acetamide
CID 7334062

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]naphthalene-2-sulfonamide?
The IUPAC name of N-[(E)-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]naphthalene-2-sulfonamide (CID 35779863) is N-[(E)-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[(E)-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]naphthalene-2-sulfonamide?
The canonical SMILES for N-[(E)-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]naphthalene-2-sulfonamide is CCOc1cc(/C=N/NS(=O)(=O)c2ccc3ccccc3c2)ccc1OCC(=O)N1CCOCC1.
What is the InChIKey of N-[(E)-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]naphthalene-2-sulfonamide?
The InChIKey is CXOUCGBKDIDXTL-YZSQISJMSA-N. The full InChI is InChI=1S/C25H27N3O6S/c1-2-33-24-15-19(7-10-23(24)34-18-25(29)28-11-13-32-14-12-28)17-26-27-35(30,31)22-9-8-20-5-3-4-6-21(20)16-22/h3-10,15-17,27H,2,11-14,18H2,1H3/b26-17+.
What are the key properties of N-[(E)-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]naphthalene-2-sulfonamide?
N-[(E)-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]naphthalene-2-sulfonamide has a molecular weight of 497.57 g/mol, XLogP of 2.79, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]naphthalene-2-sulfonamide is sourced from PubChem (CID 35779863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).