4-(diethylsulfamoyl)-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide

C21H25N5O5S3 — CID 3376168

IUPAC4-(diethylsulfamoyl)-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide
SMILESCCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N(CC)CC)cc3)cc2)s1
InChIInChI=1S/C21H25N5O5S3/c1-4-19-23-24-21(32-19)25-33(28,29)17-13-9-16(10-14-17)22-20(27)15-7-11-18(12-8-15)34(30,31)26(5-2)6-3/h7-14H,4-6H2,1-3H3,(H,22,27)(H,24,25)
InChIKeyVTWROZIAUPVUKI-UHFFFAOYSA-N
MW523.66 g/mol
LogP3.18
Rot. Bonds10

About 4-(diethylsulfamoyl)-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide

4-(diethylsulfamoyl)-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide (PubChem CID 3376168) has the molecular formula C21H25N5O5S3 and a molecular weight of 523.66 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide
PubChem CID3376168
Molecular FormulaC21H25N5O5S3
Molecular Weight523.66 g/mol
Exact Mass523.10
IUPAC Name4-(diethylsulfamoyl)-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide
SMILESCCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N(CC)CC)cc3)cc2)s1
InChIInChI=1S/C21H25N5O5S3/c1-4-19-23-24-21(32-19)25-33(28,29)17-13-9-16(10-14-17)22-20(27)15-7-11-18(12-8-15)34(30,31)26(5-2)6-3/h7-14H,4-6H2,1-3H3,(H,22,27)(H,24,25)
InChIKeyVTWROZIAUPVUKI-UHFFFAOYSA-N
XLogP3.18
TPSA138.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.66
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide (CID 3376168) is 4-(diethylsulfamoyl)-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide is CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N(CC)CC)cc3)cc2)s1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide?
The InChIKey is VTWROZIAUPVUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O5S3/c1-4-19-23-24-21(32-19)25-33(28,29)17-13-9-16(10-14-17)22-20(27)15-7-11-18(12-8-15)34(30,31)26(5-2)6-3/h7-14H,4-6H2,1-3H3,(H,22,27)(H,24,25).
What are the key properties of 4-(diethylsulfamoyl)-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide?
4-(diethylsulfamoyl)-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide has a molecular weight of 523.66 g/mol, XLogP of 3.18, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 3376168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).