N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide

C20H31N5O4S2 — CID 55732602

IUPACN-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)CSCc1noc(C)n1
InChIInChI=1S/C20H31N5O4S2/c1-6-24(7-2)18-11-10-16(31(27,28)25(8-3)9-4)12-17(18)22-20(26)14-30-13-19-21-15(5)29-23-19/h10-12H,6-9,13-14H2,1-5H3,(H,22,26)
InChIKeyGYZLKONSDPQPLC-UHFFFAOYSA-N
MW469.63 g/mol
LogP3.13
Rot. Bonds12

About N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide

N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide (PubChem CID 55732602) has the molecular formula C20H31N5O4S2 and a molecular weight of 469.63 g/mol. Its IUPAC name is N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide
PubChem CID55732602
Molecular FormulaC20H31N5O4S2
Molecular Weight469.63 g/mol
Exact Mass469.18
IUPAC NameN-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)CSCc1noc(C)n1
InChIInChI=1S/C20H31N5O4S2/c1-6-24(7-2)18-11-10-16(31(27,28)25(8-3)9-4)12-17(18)22-20(26)14-30-13-19-21-15(5)29-23-19/h10-12H,6-9,13-14H2,1-5H3,(H,22,26)
InChIKeyGYZLKONSDPQPLC-UHFFFAOYSA-N
XLogP3.13
TPSA108.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.63
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 55667081
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]pentanamide
CID 55330958
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-methylbutanamide
CID 46511241
2-[(4-chlorophenyl)methylsulfanyl]-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]acetamide
CID 55464247
ethyl 2-[2-[2-(dimethylamino)-5-(dimethylsulfamoyl)anilino]-2-oxoethyl]sulfanylacetate
CID 9286924
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide
CID 55735552
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]pyridine-2-carboxamide
CID 26880756
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 55667277
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 4830026
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]acetamide
CID 30830987
N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-propylsulfanylacetamide
CID 55876228
N-[4-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]-4-oxobutyl]furan-2-carboxamide
CID 39753944

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide?
The IUPAC name of N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide (CID 55732602) is N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide is CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)CSCc1noc(C)n1.
What is the InChIKey of N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide?
The InChIKey is GYZLKONSDPQPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O4S2/c1-6-24(7-2)18-11-10-16(31(27,28)25(8-3)9-4)12-17(18)22-20(26)14-30-13-19-21-15(5)29-23-19/h10-12H,6-9,13-14H2,1-5H3,(H,22,26).
What are the key properties of N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide?
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide has a molecular weight of 469.63 g/mol, XLogP of 3.13, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 55732602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).