2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]acetamide

C28H25ClN4O6S — CID 126033900

IUPAC2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]acetamide
SMILESO=C(COc1ccc(/C=N\NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1)NCc1ccco1
InChIInChI=1S/C28H25ClN4O6S/c29-22-10-14-26(15-11-22)40(36,37)33(23-5-2-1-3-6-23)19-27(34)32-31-17-21-8-12-24(13-9-21)39-20-28(35)30-18-25-7-4-16-38-25/h1-17H,18-20H2,(H,30,35)(H,32,34)/b31-17-
InChIKeyDFTMKYHMBFYRNG-LJUMEUDFSA-N
MW581.05 g/mol
LogP3.97
Rot. Bonds12

About 2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]acetamide

2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]acetamide (PubChem CID 126033900) has the molecular formula C28H25ClN4O6S and a molecular weight of 581.05 g/mol. Its IUPAC name is 2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]acetamide
PubChem CID126033900
Molecular FormulaC28H25ClN4O6S
Molecular Weight581.05 g/mol
Exact Mass580.12
IUPAC Name2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]acetamide
SMILESO=C(COc1ccc(/C=N\NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1)NCc1ccco1
InChIInChI=1S/C28H25ClN4O6S/c29-22-10-14-26(15-11-22)40(36,37)33(23-5-2-1-3-6-23)19-27(34)32-31-17-21-8-12-24(13-9-21)39-20-28(35)30-18-25-7-4-16-38-25/h1-17H,18-20H2,(H,30,35)(H,32,34)/b31-17-
InChIKeyDFTMKYHMBFYRNG-LJUMEUDFSA-N
XLogP3.97
TPSA130.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500581.05
LogP ≤ 53.97
H-Bond Donors ≤ 52
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'}

Analyze 2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide
CID 126033864
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-[4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]acetamide
CID 124631557
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 4064777
N-[(E)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]-2,2-diphenylacetamide
CID 94833119
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-(4-propoxyphenyl)methylideneamino]acetamide
CID 126031965
N-(furan-2-ylmethyl)-2-[4-[(phenylcarbamothioylhydrazinylidene)methyl]phenoxy]acetamide
CID 3911922
4-[[[2-(N-(4-ethoxyphenyl)sulfonylanilino)acetyl]hydrazinylidene]methyl]benzoic acid
CID 3836684
tert-butyl 2-[4-[(Z)-[[2-(N-(4-methylphenyl)sulfonylanilino)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 124535267
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(furan-2-ylmethyl)acetamide
CID 1337777
2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(furan-2-ylmethyl)acetamide
CID 30129755
2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(4-ethoxyphenyl)methylideneamino]acetamide
CID 94847262
2-[benzenesulfonyl(benzyl)amino]-N-[(Z)-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]methylideneamino]acetamide
CID 45374174

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]acetamide?
The IUPAC name of 2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]acetamide (CID 126033900) is 2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]acetamide?
The canonical SMILES for 2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]acetamide is O=C(COc1ccc(/C=N\NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1)NCc1ccco1.
What is the InChIKey of 2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]acetamide?
The InChIKey is DFTMKYHMBFYRNG-LJUMEUDFSA-N. The full InChI is InChI=1S/C28H25ClN4O6S/c29-22-10-14-26(15-11-22)40(36,37)33(23-5-2-1-3-6-23)19-27(34)32-31-17-21-8-12-24(13-9-21)39-20-28(35)30-18-25-7-4-16-38-25/h1-17H,18-20H2,(H,30,35)(H,32,34)/b31-17-.
What are the key properties of 2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]acetamide?
2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]acetamide has a molecular weight of 581.05 g/mol, XLogP of 3.97, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]acetamide is sourced from PubChem (CID 126033900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).