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

C21H23ClN4O4S2 — CID 91200215

IUPAC5-chloro-2-methoxy-N-[2-[4-[propan-2-yl(1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]ethyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)N(c2nncs2)C(C)C)cc1
InChIInChI=1S/C21H23ClN4O4S2/c1-14(2)26(21-25-24-13-31-21)32(28,29)17-7-4-15(5-8-17)10-11-23-20(27)18-12-16(22)6-9-19(18)30-3/h4-9,12-14H,10-11H2,1-3H3,(H,23,27)
InChIKeyYZXFHJXAPMWIBT-UHFFFAOYSA-N
MW495.03 g/mol
LogP3.78
Rot. Bonds9

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

5-chloro-2-methoxy-N-[2-[4-[propan-2-yl(1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]ethyl]benzamide (PubChem CID 91200215) has the molecular formula C21H23ClN4O4S2 and a molecular weight of 495.03 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[2-[4-[propan-2-yl(1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]ethyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[2-[4-[propan-2-yl(1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]ethyl]benzamide
PubChem CID91200215
Molecular FormulaC21H23ClN4O4S2
Molecular Weight495.03 g/mol
Exact Mass494.08
IUPAC Name5-chloro-2-methoxy-N-[2-[4-[propan-2-yl(1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]ethyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)N(c2nncs2)C(C)C)cc1
InChIInChI=1S/C21H23ClN4O4S2/c1-14(2)26(21-25-24-13-31-21)32(28,29)17-7-4-15(5-8-17)10-11-23-20(27)18-12-16(22)6-9-19(18)30-3/h4-9,12-14H,10-11H2,1-3H3,(H,23,27)
InChIKeyYZXFHJXAPMWIBT-UHFFFAOYSA-N
XLogP3.78
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.03
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[2-[4-[propan-2-yl(1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]ethyl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[2-[4-[propan-2-yl(1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]ethyl]benzamide (CID 91200215) is 5-chloro-2-methoxy-N-[2-[4-[propan-2-yl(1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]ethyl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[2-[4-[propan-2-yl(1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]ethyl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[2-[4-[propan-2-yl(1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]ethyl]benzamide is COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)N(c2nncs2)C(C)C)cc1.
What is the InChIKey of 5-chloro-2-methoxy-N-[2-[4-[propan-2-yl(1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]ethyl]benzamide?
The InChIKey is YZXFHJXAPMWIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O4S2/c1-14(2)26(21-25-24-13-31-21)32(28,29)17-7-4-15(5-8-17)10-11-23-20(27)18-12-16(22)6-9-19(18)30-3/h4-9,12-14H,10-11H2,1-3H3,(H,23,27).
What are the key properties of 5-chloro-2-methoxy-N-[2-[4-[propan-2-yl(1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]ethyl]benzamide?
5-chloro-2-methoxy-N-[2-[4-[propan-2-yl(1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]ethyl]benzamide has a molecular weight of 495.03 g/mol, XLogP of 3.78, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[2-[4-[propan-2-yl(1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]ethyl]benzamide is sourced from PubChem (CID 91200215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).