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

C21H23N5O6S3 — CID 16831933

IUPACN-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-morpholin-4-ylsulfonylbenzamide
SMILESCCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)s1
InChIInChI=1S/C21H23N5O6S3/c1-2-19-23-24-21(33-19)25-34(28,29)17-9-5-16(6-10-17)22-20(27)15-3-7-18(8-4-15)35(30,31)26-11-13-32-14-12-26/h3-10H,2,11-14H2,1H3,(H,22,27)(H,24,25)
InChIKeyMBJNXRPJVOKDDU-UHFFFAOYSA-N
MW537.65 g/mol
LogP2.17
Rot. Bonds8

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

N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 16831933) has the molecular formula C21H23N5O6S3 and a molecular weight of 537.65 g/mol. Its IUPAC name is N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-morpholin-4-ylsulfonylbenzamide
PubChem CID16831933
Molecular FormulaC21H23N5O6S3
Molecular Weight537.65 g/mol
Exact Mass537.08
IUPAC NameN-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-morpholin-4-ylsulfonylbenzamide
SMILESCCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)s1
InChIInChI=1S/C21H23N5O6S3/c1-2-19-23-24-21(33-19)25-34(28,29)17-9-5-16(6-10-17)22-20(27)15-3-7-18(8-4-15)35(30,31)26-11-13-32-14-12-26/h3-10H,2,11-14H2,1H3,(H,22,27)(H,24,25)
InChIKeyMBJNXRPJVOKDDU-UHFFFAOYSA-N
XLogP2.17
TPSA147.66 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.65
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-piperidin-1-ylsulfonylbenzamide
CID 3312448
4-cyclopentyloxy-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide
CID 50739495
N-(4-acetylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1152899
N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 16804484
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-hydroxy-5-morpholin-4-ylsulfonylbenzamide
CID 43853455
N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-(2-imidazol-1-ylethylamino)benzamide
CID 146099329
N-(4-morpholin-4-ylsulfonylphenyl)-4-(pentanoylamino)benzamide
CID 2211272
N-(4-fluorophenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1157332
4-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 3955565
N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide
CID 1244336
4-piperidin-1-ylsulfonyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 9109809
4-(morpholin-4-ylsulfonylmethyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-morpholin-4-ylsulfonylbenzamide (CID 16831933) is N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-morpholin-4-ylsulfonylbenzamide is CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)s1.
What is the InChIKey of N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is MBJNXRPJVOKDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O6S3/c1-2-19-23-24-21(33-19)25-34(28,29)17-9-5-16(6-10-17)22-20(27)15-3-7-18(8-4-15)35(30,31)26-11-13-32-14-12-26/h3-10H,2,11-14H2,1H3,(H,22,27)(H,24,25).
What are the key properties of N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-morpholin-4-ylsulfonylbenzamide?
N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 537.65 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 16831933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).