5-chloro-N-[2-[4-(dibutylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide

C24H33ClN2O4S — CID 138393069

IUPAC5-chloro-N-[2-[4-(dibutylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(CCNC(=O)c2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C24H33ClN2O4S/c1-4-6-16-27(17-7-5-2)32(29,30)21-11-8-19(9-12-21)14-15-26-24(28)22-18-20(25)10-13-23(22)31-3/h8-13,18H,4-7,14-17H2,1-3H3,(H,26,28)
InChIKeyNTZKYNDSECAROW-UHFFFAOYSA-N
MW481.06 g/mol
LogP4.91
Rot. Bonds13

About 5-chloro-N-[2-[4-(dibutylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide

5-chloro-N-[2-[4-(dibutylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide (PubChem CID 138393069) has the molecular formula C24H33ClN2O4S and a molecular weight of 481.06 g/mol. Its IUPAC name is 5-chloro-N-[2-[4-(dibutylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[2-[4-(dibutylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide
PubChem CID138393069
Molecular FormulaC24H33ClN2O4S
Molecular Weight481.06 g/mol
Exact Mass480.18
IUPAC Name5-chloro-N-[2-[4-(dibutylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(CCNC(=O)c2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C24H33ClN2O4S/c1-4-6-16-27(17-7-5-2)32(29,30)21-11-8-19(9-12-21)14-15-26-24(28)22-18-20(25)10-13-23(22)31-3/h8-13,18H,4-7,14-17H2,1-3H3,(H,26,28)
InChIKeyNTZKYNDSECAROW-UHFFFAOYSA-N
XLogP4.91
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.06
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[4-(dibutylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[2-[4-(dibutylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide (CID 138393069) is 5-chloro-N-[2-[4-(dibutylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[2-[4-(dibutylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[2-[4-(dibutylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide is CCCCN(CCCC)S(=O)(=O)c1ccc(CCNC(=O)c2cc(Cl)ccc2OC)cc1.
What is the InChIKey of 5-chloro-N-[2-[4-(dibutylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide?
The InChIKey is NTZKYNDSECAROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33ClN2O4S/c1-4-6-16-27(17-7-5-2)32(29,30)21-11-8-19(9-12-21)14-15-26-24(28)22-18-20(25)10-13-23(22)31-3/h8-13,18H,4-7,14-17H2,1-3H3,(H,26,28).
What are the key properties of 5-chloro-N-[2-[4-(dibutylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide?
5-chloro-N-[2-[4-(dibutylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide has a molecular weight of 481.06 g/mol, XLogP of 4.91, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[4-(dibutylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide is sourced from PubChem (CID 138393069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).