N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

C18H25N5O4S3 — CID 24982991

IUPACN-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nncs1
InChIInChI=1S/C18H25N5O4S3/c1-3-22(4-2)16-6-5-14(30(25,26)23-7-9-27-10-8-23)11-15(16)20-17(24)12-28-18-21-19-13-29-18/h5-6,11,13H,3-4,7-10,12H2,1-2H3,(H,20,24)
InChIKeyCDRIIIBVTAQODW-UHFFFAOYSA-N
MW471.63 g/mol
LogP2.14
Rot. Bonds9

About N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (PubChem CID 24982991) has the molecular formula C18H25N5O4S3 and a molecular weight of 471.63 g/mol. Its IUPAC name is N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
PubChem CID24982991
Molecular FormulaC18H25N5O4S3
Molecular Weight471.63 g/mol
Exact Mass471.11
IUPAC NameN-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nncs1
InChIInChI=1S/C18H25N5O4S3/c1-3-22(4-2)16-6-5-14(30(25,26)23-7-9-27-10-8-23)11-15(16)20-17(24)12-28-18-21-19-13-29-18/h5-6,11,13H,3-4,7-10,12H2,1-2H3,(H,20,24)
InChIKeyCDRIIIBVTAQODW-UHFFFAOYSA-N
XLogP2.14
TPSA104.73 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.63
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[4-[[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]sulfamoyl]phenyl]acetamide
CID 4258041
N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-methylsulfanylpropanamide
CID 4840256
N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 16315480
[2-[2-(Diethylamino)-5-morpholin-4-ylsulfonylanilino]-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 24817976
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]thiophene-2-sulfonamide
CID 3917496
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 16524268
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide
CID 24981842
N-[2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-methylsulfanylpropanamide
CID 25163270
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 2443557
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 4881259
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide
CID 16291637
N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)hexanamide
CID 18083658

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (CID 24982991) is N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nncs1.
What is the InChIKey of N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The InChIKey is CDRIIIBVTAQODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O4S3/c1-3-22(4-2)16-6-5-14(30(25,26)23-7-9-27-10-8-23)11-15(16)20-17(24)12-28-18-21-19-13-29-18/h5-6,11,13H,3-4,7-10,12H2,1-2H3,(H,20,24).
What are the key properties of N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide has a molecular weight of 471.63 g/mol, XLogP of 2.14, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 24982991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).