N-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-[(4-methylphenyl)sulfonylamino]acetamide

C20H18BrN3O4S — CID 19578276

IUPACN-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-[(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)cc1
InChIInChI=1S/C20H18BrN3O4S/c1-14-2-9-18(10-3-14)29(26,27)23-13-20(25)24-22-12-17-8-11-19(28-17)15-4-6-16(21)7-5-15/h2-12,23H,13H2,1H3,(H,24,25)/b22-12+
InChIKeyWJPNAZSMVYCJCH-WSDLNYQXSA-N
MW476.35 g/mol
LogP3.45
Rot. Bonds7

About N-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-[(4-methylphenyl)sulfonylamino]acetamide

N-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-[(4-methylphenyl)sulfonylamino]acetamide (PubChem CID 19578276) has the molecular formula C20H18BrN3O4S and a molecular weight of 476.35 g/mol. Its IUPAC name is N-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-[(4-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-[(4-methylphenyl)sulfonylamino]acetamide
PubChem CID19578276
Molecular FormulaC20H18BrN3O4S
Molecular Weight476.35 g/mol
Exact Mass475.02
IUPAC NameN-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-[(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)cc1
InChIInChI=1S/C20H18BrN3O4S/c1-14-2-9-18(10-3-14)29(26,27)23-13-20(25)24-22-12-17-8-11-19(28-17)15-4-6-16(21)7-5-15/h2-12,23H,13H2,1H3,(H,24,25)/b22-12+
InChIKeyWJPNAZSMVYCJCH-WSDLNYQXSA-N
XLogP3.45
TPSA100.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.35
LogP ≤ 53.45
H-Bond Donors ≤ 52
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

[4-[(Z)-[[2-[(4-methylphenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
CID 6379962
[4-[[[2-[(4-methylphenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
CID 4158530
2-(4-bromoanilino)-N-[(Z)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]acetamide
CID 126351374
4-[(4-bromophenyl)sulfonylamino]-N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]benzamide
CID 2399832
4-[5-[(Z)-[[2-(4-methylphenyl)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 126364419
1-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-(2-methylphenyl)urea
CID 4222897
2-(4-bromoanilino)-N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 126355492
[(Z)-[5-[[(4-bromophenyl)sulfonylamino]methyl]furan-2-yl]methylideneamino]urea
CID 99972908
N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-(4-tert-butylphenoxy)acetamide
CID 25251554
N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 8518877
N-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-morpholin-4-ylpropanamide
CID 3096595
2-(4-bromonaphthalen-1-yl)-N-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]acetamide
CID 3879614

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-[(4-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-[(4-methylphenyl)sulfonylamino]acetamide (CID 19578276) is N-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-[(4-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-[(4-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-[(4-methylphenyl)sulfonylamino]acetamide is Cc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)cc1.
What is the InChIKey of N-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-[(4-methylphenyl)sulfonylamino]acetamide?
The InChIKey is WJPNAZSMVYCJCH-WSDLNYQXSA-N. The full InChI is InChI=1S/C20H18BrN3O4S/c1-14-2-9-18(10-3-14)29(26,27)23-13-20(25)24-22-12-17-8-11-19(28-17)15-4-6-16(21)7-5-15/h2-12,23H,13H2,1H3,(H,24,25)/b22-12+.
What are the key properties of N-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-[(4-methylphenyl)sulfonylamino]acetamide?
N-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-[(4-methylphenyl)sulfonylamino]acetamide has a molecular weight of 476.35 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-[(4-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 19578276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).