N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-methyl-3-phenylsulfanylpropanamide

C21H22N2O4S2 — CID 86934875

IUPACN-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-methyl-3-phenylsulfanylpropanamide
SMILESCC(CSc1ccccc1)C(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1
InChIInChI=1S/C21H22N2O4S2/c1-16(15-28-19-9-3-2-4-10-19)21(24)23-17-7-5-11-20(13-17)29(25,26)22-14-18-8-6-12-27-18/h2-13,16,22H,14-15H2,1H3,(H,23,24)
InChIKeyWLDXUCDMGXZWOJ-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.12
Rot. Bonds9

About N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-methyl-3-phenylsulfanylpropanamide

N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-methyl-3-phenylsulfanylpropanamide (PubChem CID 86934875) has the molecular formula C21H22N2O4S2 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-methyl-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-methyl-3-phenylsulfanylpropanamide
PubChem CID86934875
Molecular FormulaC21H22N2O4S2
Molecular Weight430.55 g/mol
Exact Mass430.10
IUPAC NameN-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-methyl-3-phenylsulfanylpropanamide
SMILESCC(CSc1ccccc1)C(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1
InChIInChI=1S/C21H22N2O4S2/c1-16(15-28-19-9-3-2-4-10-19)21(24)23-17-7-5-11-20(13-17)29(25,26)22-14-18-8-6-12-27-18/h2-13,16,22H,14-15H2,1H3,(H,23,24)
InChIKeyWLDXUCDMGXZWOJ-UHFFFAOYSA-N
XLogP4.12
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(3-cyanophenyl)-2-[3-(furan-2-ylmethylsulfamoyl)anilino]propanamide
CID 25499038
2-(3-chlorophenoxy)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]propanamide
CID 55342838
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]pentanamide
CID 51154986
[1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 3-(furan-2-ylmethylsulfamoyl)benzoate
CID 46668074
4-(furan-2-ylmethylsulfamoyl)-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 55617154
2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]propanamide
CID 135687356
(1-anilino-1-oxopropan-2-yl) 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 4791564
3-(furan-2-ylmethylsulfamoyl)-N-(1-phenylethyl)benzamide
CID 43006795
3-(2-chlorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]propanamide
CID 35559497
N-[3-(tert-butylsulfonylmethyl)phenyl]-2-methyl-3-phenylsulfanylpropanamide
CID 86940762
2-(3,4-dichlorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 34858380
3-(furan-2-ylmethylsulfamoyl)benzoic acid
CID 972732

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-methyl-3-phenylsulfanylpropanamide?
The IUPAC name of N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-methyl-3-phenylsulfanylpropanamide (CID 86934875) is N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-methyl-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-methyl-3-phenylsulfanylpropanamide?
The canonical SMILES for N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-methyl-3-phenylsulfanylpropanamide is CC(CSc1ccccc1)C(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1.
What is the InChIKey of N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-methyl-3-phenylsulfanylpropanamide?
The InChIKey is WLDXUCDMGXZWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S2/c1-16(15-28-19-9-3-2-4-10-19)21(24)23-17-7-5-11-20(13-17)29(25,26)22-14-18-8-6-12-27-18/h2-13,16,22H,14-15H2,1H3,(H,23,24).
What are the key properties of N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-methyl-3-phenylsulfanylpropanamide?
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-methyl-3-phenylsulfanylpropanamide has a molecular weight of 430.55 g/mol, XLogP of 4.12, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-methyl-3-phenylsulfanylpropanamide is sourced from PubChem (CID 86934875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).