N-(furan-2-ylmethylideneamino)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide

C22H23N3O4S — CID 3130105

IUPACN-(furan-2-ylmethylideneamino)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
SMILESCc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccco2)cc1
InChIInChI=1S/C22H23N3O4S/c1-18-9-11-21(12-10-18)30(27,28)25(14-13-19-6-3-2-4-7-19)17-22(26)24-23-16-20-8-5-15-29-20/h2-12,15-16H,13-14,17H2,1H3,(H,24,26)
InChIKeyMLDRKPAXCFZJLX-UHFFFAOYSA-N
MW425.51 g/mol
LogP2.97
Rot. Bonds9

About N-(furan-2-ylmethylideneamino)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide

N-(furan-2-ylmethylideneamino)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide (PubChem CID 3130105) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is N-(furan-2-ylmethylideneamino)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethylideneamino)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
PubChem CID3130105
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC NameN-(furan-2-ylmethylideneamino)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
SMILESCc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccco2)cc1
InChIInChI=1S/C22H23N3O4S/c1-18-9-11-21(12-10-18)30(27,28)25(14-13-19-6-3-2-4-7-19)17-22(26)24-23-16-20-8-5-15-29-20/h2-12,15-16H,13-14,17H2,1H3,(H,24,26)
InChIKeyMLDRKPAXCFZJLX-UHFFFAOYSA-N
XLogP2.97
TPSA91.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 52.97
H-Bond Donors ≤ 51
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

N-[(Z)-(4-fluorophenyl)methylideneamino]-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 94845794
2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide
CID 126069386
N-hydroxy-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 59105580
N-(2,5-dimethylphenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1141990
N-[(E)-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 98060601
2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(E)-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]acetamide
CID 98060562
2-[(4-acetamidophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(E)-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]acetamide
CID 99653408
methyl 4-[(Z)-[[2-[benzenesulfonyl(2-phenylethyl)amino]acetyl]hydrazinylidene]methyl]benzoate
CID 92511490
N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 94847336
N,N-dibenzyl-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 126067531
2-[(4-acetamidophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
CID 6087906
2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
CID 94847351

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethylideneamino)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
The IUPAC name of N-(furan-2-ylmethylideneamino)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide (CID 3130105) is N-(furan-2-ylmethylideneamino)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide.
What is the SMILES notation for N-(furan-2-ylmethylideneamino)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
The canonical SMILES for N-(furan-2-ylmethylideneamino)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide is Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethylideneamino)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
The InChIKey is MLDRKPAXCFZJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-18-9-11-21(12-10-18)30(27,28)25(14-13-19-6-3-2-4-7-19)17-22(26)24-23-16-20-8-5-15-29-20/h2-12,15-16H,13-14,17H2,1H3,(H,24,26).
What are the key properties of N-(furan-2-ylmethylideneamino)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
N-(furan-2-ylmethylideneamino)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide has a molecular weight of 425.51 g/mol, XLogP of 2.97, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethylideneamino)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide is sourced from PubChem (CID 3130105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).