N-[3-(furan-2-ylmethylsulfanyl)propyl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide

C24H28N2O5S2 — CID 30243157

IUPACN-[3-(furan-2-ylmethylsulfanyl)propyl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1ccccc1N(CC(=O)NCCCSCc1ccco1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H28N2O5S2/c1-19-10-12-21(13-11-19)33(28,29)26(22-8-3-4-9-23(22)30-2)17-24(27)25-14-6-16-32-18-20-7-5-15-31-20/h3-5,7-13,15H,6,14,16-18H2,1-2H3,(H,25,27)
InChIKeyFFHAFWZSGDRYNM-UHFFFAOYSA-N
MW488.63 g/mol
LogP4.23
Rot. Bonds12

About N-[3-(furan-2-ylmethylsulfanyl)propyl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide

N-[3-(furan-2-ylmethylsulfanyl)propyl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 30243157) has the molecular formula C24H28N2O5S2 and a molecular weight of 488.63 g/mol. Its IUPAC name is N-[3-(furan-2-ylmethylsulfanyl)propyl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[3-(furan-2-ylmethylsulfanyl)propyl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID30243157
Molecular FormulaC24H28N2O5S2
Molecular Weight488.63 g/mol
Exact Mass488.14
IUPAC NameN-[3-(furan-2-ylmethylsulfanyl)propyl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1ccccc1N(CC(=O)NCCCSCc1ccco1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H28N2O5S2/c1-19-10-12-21(13-11-19)33(28,29)26(22-8-3-4-9-23(22)30-2)17-24(27)25-14-6-16-32-18-20-7-5-15-31-20/h3-5,7-13,15H,6,14,16-18H2,1-2H3,(H,25,27)
InChIKeyFFHAFWZSGDRYNM-UHFFFAOYSA-N
XLogP4.23
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.63
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(furan-2-ylmethylsulfanyl)propyl]-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30216270
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[3-(furan-2-ylmethylsulfanyl)propyl]acetamide
CID 30206008
2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-(furan-2-ylmethylsulfanyl)propyl]acetamide
CID 30212767
N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30243170
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[3-(furan-2-ylmethylsulfanyl)propyl]acetamide
CID 30176489
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[3-(furan-2-ylmethylsulfanyl)propyl]acetamide
CID 30202137
N-[3-(furan-2-ylmethylsulfanyl)propyl]-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30278307
N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 43897758
2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
CID 126172296
2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide
CID 126274254
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[3-(furan-2-ylmethylsulfanyl)propyl]acetamide
CID 30221102
2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30243119

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-ylmethylsulfanyl)propyl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-[3-(furan-2-ylmethylsulfanyl)propyl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 30243157) is N-[3-(furan-2-ylmethylsulfanyl)propyl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-[3-(furan-2-ylmethylsulfanyl)propyl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-[3-(furan-2-ylmethylsulfanyl)propyl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide is COc1ccccc1N(CC(=O)NCCCSCc1ccco1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[3-(furan-2-ylmethylsulfanyl)propyl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is FFHAFWZSGDRYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5S2/c1-19-10-12-21(13-11-19)33(28,29)26(22-8-3-4-9-23(22)30-2)17-24(27)25-14-6-16-32-18-20-7-5-15-31-20/h3-5,7-13,15H,6,14,16-18H2,1-2H3,(H,25,27).
What are the key properties of N-[3-(furan-2-ylmethylsulfanyl)propyl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
N-[3-(furan-2-ylmethylsulfanyl)propyl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 488.63 g/mol, XLogP of 4.23, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-ylmethylsulfanyl)propyl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 30243157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).