N-[4-[[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]sulfamoyl]phenyl]acetamide

C28H32N4O4S — CID 4857708

IUPACN-[4-[[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C28H32N4O4S/c1-22(33)30-25-12-14-26(15-13-25)37(35,36)29-17-16-27(34)31-18-20-32(21-19-31)28(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-15,28-29H,16-21H2,1H3,(H,30,33)
InChIKeyLRCAGVLDABMQDI-UHFFFAOYSA-N
MW520.66 g/mol
LogP3.25
Rot. Bonds9

About N-[4-[[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]sulfamoyl]phenyl]acetamide

N-[4-[[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]sulfamoyl]phenyl]acetamide (PubChem CID 4857708) has the molecular formula C28H32N4O4S and a molecular weight of 520.66 g/mol. Its IUPAC name is N-[4-[[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]sulfamoyl]phenyl]acetamide
PubChem CID4857708
Molecular FormulaC28H32N4O4S
Molecular Weight520.66 g/mol
Exact Mass520.21
IUPAC NameN-[4-[[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C28H32N4O4S/c1-22(33)30-25-12-14-26(15-13-25)37(35,36)29-17-16-27(34)31-18-20-32(21-19-31)28(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-15,28-29H,16-21H2,1H3,(H,30,33)
InChIKeyLRCAGVLDABMQDI-UHFFFAOYSA-N
XLogP3.25
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.66
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]sulfamoyl]phenyl]acetamide (CID 4857708) is N-[4-[[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of N-[4-[[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]sulfamoyl]phenyl]acetamide?
The InChIKey is LRCAGVLDABMQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O4S/c1-22(33)30-25-12-14-26(15-13-25)37(35,36)29-17-16-27(34)31-18-20-32(21-19-31)28(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-15,28-29H,16-21H2,1H3,(H,30,33).
What are the key properties of N-[4-[[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]sulfamoyl]phenyl]acetamide?
N-[4-[[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]sulfamoyl]phenyl]acetamide has a molecular weight of 520.66 g/mol, XLogP of 3.25, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 4857708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).