N-[2,4-dimethoxy-5-[(2-piperidin-1-ylphenyl)methylsulfamoyl]phenyl]acetamide

C22H29N3O5S — CID 56603824

IUPACN-[2,4-dimethoxy-5-[(2-piperidin-1-ylphenyl)methylsulfamoyl]phenyl]acetamide
SMILESCOc1cc(OC)c(S(=O)(=O)NCc2ccccc2N2CCCCC2)cc1NC(C)=O
InChIInChI=1S/C22H29N3O5S/c1-16(26)24-18-13-22(21(30-3)14-20(18)29-2)31(27,28)23-15-17-9-5-6-10-19(17)25-11-7-4-8-12-25/h5-6,9-10,13-14,23H,4,7-8,11-12,15H2,1-3H3,(H,24,26)
InChIKeyLDJDHSINBFNMFS-UHFFFAOYSA-N
MW447.56 g/mol
LogP3.13
Rot. Bonds8

About N-[2,4-dimethoxy-5-[(2-piperidin-1-ylphenyl)methylsulfamoyl]phenyl]acetamide

N-[2,4-dimethoxy-5-[(2-piperidin-1-ylphenyl)methylsulfamoyl]phenyl]acetamide (PubChem CID 56603824) has the molecular formula C22H29N3O5S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-[2,4-dimethoxy-5-[(2-piperidin-1-ylphenyl)methylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2,4-dimethoxy-5-[(2-piperidin-1-ylphenyl)methylsulfamoyl]phenyl]acetamide
PubChem CID56603824
Molecular FormulaC22H29N3O5S
Molecular Weight447.56 g/mol
Exact Mass447.18
IUPAC NameN-[2,4-dimethoxy-5-[(2-piperidin-1-ylphenyl)methylsulfamoyl]phenyl]acetamide
SMILESCOc1cc(OC)c(S(=O)(=O)NCc2ccccc2N2CCCCC2)cc1NC(C)=O
InChIInChI=1S/C22H29N3O5S/c1-16(26)24-18-13-22(21(30-3)14-20(18)29-2)31(27,28)23-15-17-9-5-6-10-19(17)25-11-7-4-8-12-25/h5-6,9-10,13-14,23H,4,7-8,11-12,15H2,1-3H3,(H,24,26)
InChIKeyLDJDHSINBFNMFS-UHFFFAOYSA-N
XLogP3.13
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2,4-dimethoxy-5-[(2-piperidin-1-ylphenyl)methylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[2,4-dimethoxy-5-[(2-piperidin-1-ylphenyl)methylsulfamoyl]phenyl]acetamide (CID 56603824) is N-[2,4-dimethoxy-5-[(2-piperidin-1-ylphenyl)methylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[2,4-dimethoxy-5-[(2-piperidin-1-ylphenyl)methylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[2,4-dimethoxy-5-[(2-piperidin-1-ylphenyl)methylsulfamoyl]phenyl]acetamide is COc1cc(OC)c(S(=O)(=O)NCc2ccccc2N2CCCCC2)cc1NC(C)=O.
What is the InChIKey of N-[2,4-dimethoxy-5-[(2-piperidin-1-ylphenyl)methylsulfamoyl]phenyl]acetamide?
The InChIKey is LDJDHSINBFNMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5S/c1-16(26)24-18-13-22(21(30-3)14-20(18)29-2)31(27,28)23-15-17-9-5-6-10-19(17)25-11-7-4-8-12-25/h5-6,9-10,13-14,23H,4,7-8,11-12,15H2,1-3H3,(H,24,26).
What are the key properties of N-[2,4-dimethoxy-5-[(2-piperidin-1-ylphenyl)methylsulfamoyl]phenyl]acetamide?
N-[2,4-dimethoxy-5-[(2-piperidin-1-ylphenyl)methylsulfamoyl]phenyl]acetamide has a molecular weight of 447.56 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-dimethoxy-5-[(2-piperidin-1-ylphenyl)methylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 56603824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).