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

C23H29N5O5S3 — CID 2839288

IUPAC4-(dipropylsulfamoyl)-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nnc(CC)s3)cc2)cc1
InChIInChI=1S/C23H29N5O5S3/c1-4-15-28(16-5-2)36(32,33)20-11-7-17(8-12-20)22(29)24-18-9-13-19(14-10-18)35(30,31)27-23-26-25-21(6-3)34-23/h7-14H,4-6,15-16H2,1-3H3,(H,24,29)(H,26,27)
InChIKeyYCNBZPASAWZNDU-UHFFFAOYSA-N
MW551.72 g/mol
LogP3.96
Rot. Bonds12

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

4-(dipropylsulfamoyl)-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide (PubChem CID 2839288) has the molecular formula C23H29N5O5S3 and a molecular weight of 551.72 g/mol. Its IUPAC name is 4-(dipropylsulfamoyl)-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name4-(dipropylsulfamoyl)-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide
PubChem CID2839288
Molecular FormulaC23H29N5O5S3
Molecular Weight551.72 g/mol
Exact Mass551.13
IUPAC Name4-(dipropylsulfamoyl)-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nnc(CC)s3)cc2)cc1
InChIInChI=1S/C23H29N5O5S3/c1-4-15-28(16-5-2)36(32,33)20-11-7-17(8-12-20)22(29)24-18-9-13-19(14-10-18)35(30,31)27-23-26-25-21(6-3)34-23/h7-14H,4-6,15-16H2,1-3H3,(H,24,29)(H,26,27)
InChIKeyYCNBZPASAWZNDU-UHFFFAOYSA-N
XLogP3.96
TPSA138.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.72
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(dipropylsulfamoyl)-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 4-(dipropylsulfamoyl)-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide (CID 2839288) is 4-(dipropylsulfamoyl)-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 4-(dipropylsulfamoyl)-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 4-(dipropylsulfamoyl)-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide is CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nnc(CC)s3)cc2)cc1.
What is the InChIKey of 4-(dipropylsulfamoyl)-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide?
The InChIKey is YCNBZPASAWZNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O5S3/c1-4-15-28(16-5-2)36(32,33)20-11-7-17(8-12-20)22(29)24-18-9-13-19(14-10-18)35(30,31)27-23-26-25-21(6-3)34-23/h7-14H,4-6,15-16H2,1-3H3,(H,24,29)(H,26,27).
What are the key properties of 4-(dipropylsulfamoyl)-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide?
4-(dipropylsulfamoyl)-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide has a molecular weight of 551.72 g/mol, XLogP of 3.96, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dipropylsulfamoyl)-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 2839288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).