2-benzylsulfanyl-N-[4-(dipropylsulfamoyl)phenyl]acetamide

C21H28N2O3S2 — CID 4091251

IUPAC2-benzylsulfanyl-N-[4-(dipropylsulfamoyl)phenyl]acetamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(NC(=O)CSCc2ccccc2)cc1
InChIInChI=1S/C21H28N2O3S2/c1-3-14-23(15-4-2)28(25,26)20-12-10-19(11-13-20)22-21(24)17-27-16-18-8-6-5-7-9-18/h5-13H,3-4,14-17H2,1-2H3,(H,22,24)
InChIKeyMPHSPSNAGSUSOD-UHFFFAOYSA-N
MW420.60 g/mol
LogP4.37
Rot. Bonds11

About 2-benzylsulfanyl-N-[4-(dipropylsulfamoyl)phenyl]acetamide

2-benzylsulfanyl-N-[4-(dipropylsulfamoyl)phenyl]acetamide (PubChem CID 4091251) has the molecular formula C21H28N2O3S2 and a molecular weight of 420.60 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[4-(dipropylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[4-(dipropylsulfamoyl)phenyl]acetamide
PubChem CID4091251
Molecular FormulaC21H28N2O3S2
Molecular Weight420.60 g/mol
Exact Mass420.15
IUPAC Name2-benzylsulfanyl-N-[4-(dipropylsulfamoyl)phenyl]acetamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(NC(=O)CSCc2ccccc2)cc1
InChIInChI=1S/C21H28N2O3S2/c1-3-14-23(15-4-2)28(25,26)20-12-10-19(11-13-20)22-21(24)17-27-16-18-8-6-5-7-9-18/h5-13H,3-4,14-17H2,1-2H3,(H,22,24)
InChIKeyMPHSPSNAGSUSOD-UHFFFAOYSA-N
XLogP4.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.60
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-bromophenyl)methylsulfanyl]-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 2969943
2-phenylethyl 4-[4-(dipropylsulfamoyl)anilino]-4-oxobutanoate
CID 4946832
2-benzylsulfanyl-N-phenylacetamide
CID 584914
N,N'-bis[4-(dipropylsulfamoyl)phenyl]decanediamide
CID 17080128
N-[4-(dipropylsulfamoyl)phenyl]-2-(2-methylphenyl)acetamide
CID 17109445
N-[4-(dipropylsulfamoyl)phenyl]-2-methyl-3-phenylprop-2-enamide
CID 4617041
2-benzylsulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 25039698
3-chloro-N-[4-(dibutylsulfamoyl)phenyl]propanamide
CID 94830973
N,N-dipropylbenzenesulfonamide
CID 4053954
4-(dipropylsulfamoyl)-N-(4-phenyldiazenylphenyl)benzamide
CID 3597493
N-[4-(dibutylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 3347715
(2S)-2-benzylsulfanyl-N-[4-(diethylsulfamoyl)phenyl]propanamide
CID 1007969

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-[4-(dipropylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-benzylsulfanyl-N-[4-(dipropylsulfamoyl)phenyl]acetamide (CID 4091251) is 2-benzylsulfanyl-N-[4-(dipropylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-[4-(dipropylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-[4-(dipropylsulfamoyl)phenyl]acetamide is CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)CSCc2ccccc2)cc1.
What is the InChIKey of 2-benzylsulfanyl-N-[4-(dipropylsulfamoyl)phenyl]acetamide?
The InChIKey is MPHSPSNAGSUSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S2/c1-3-14-23(15-4-2)28(25,26)20-12-10-19(11-13-20)22-21(24)17-27-16-18-8-6-5-7-9-18/h5-13H,3-4,14-17H2,1-2H3,(H,22,24).
What are the key properties of 2-benzylsulfanyl-N-[4-(dipropylsulfamoyl)phenyl]acetamide?
2-benzylsulfanyl-N-[4-(dipropylsulfamoyl)phenyl]acetamide has a molecular weight of 420.60 g/mol, XLogP of 4.37, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[4-(dipropylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 4091251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).